benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane

C138H105N9O8 — CID 157482892

IUPACbenzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane
SMILESC.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccc(OC)cc32)cn1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Cc3ccc(O)cc32)cn1.CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(O)cc32)cn1
InChIInChI=1S/C56H4.C33H37N3O4.C24H31N3O2.C24H29N3O2.CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4-35(5-2)31(37)30-14-12-26(22-34-30)29-21-33(20-25-11-13-27(39-3)19-28(25)29)15-17-36(18-16-33)32(38)40-23-24-9-7-6-8-10-24;2*1-3-27(4-2)23(29)22-8-6-18(16-26-22)21-15-24(9-11-25-12-10-24)14-17-5-7-19(28)13-20(17)21;/h1-2H2;6-14,19,21-22H,4-5,15-18,20,23H2,1-3H3;5-8,13,16,21,25,28H,3-4,9-12,14-15H2,1-2H3;5-8,13,15-16,25,28H,3-4,9-12,14H2,1-2H3;1H4
InChIKeyBWJCOKNSSUQTCO-UHFFFAOYSA-N
MW2017.41 g/mol
LogP23.14
Rot. Bonds15

About benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane

benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane (PubChem CID 157482892) has the molecular formula C138H105N9O8 and a molecular weight of 2017.41 g/mol. Its IUPAC name is benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane.

Molecular Properties

Compound Namebenzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane
PubChem CID157482892
Molecular FormulaC138H105N9O8
Molecular Weight2017.41 g/mol
Exact Mass2015.81
IUPAC Namebenzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane
SMILESC.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccc(OC)cc32)cn1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Cc3ccc(O)cc32)cn1.CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(O)cc32)cn1
InChIInChI=1S/C56H4.C33H37N3O4.C24H31N3O2.C24H29N3O2.CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4-35(5-2)31(37)30-14-12-26(22-34-30)29-21-33(20-25-11-13-27(39-3)19-28(25)29)15-17-36(18-16-33)32(38)40-23-24-9-7-6-8-10-24;2*1-3-27(4-2)23(29)22-8-6-18(16-26-22)21-15-24(9-11-25-12-10-24)14-17-5-7-19(28)13-20(17)21;/h1-2H2;6-14,19,21-22H,4-5,15-18,20,23H2,1-3H3;5-8,13,16,21,25,28H,3-4,9-12,14-15H2,1-2H3;5-8,13,15-16,25,28H,3-4,9-12,14H2,1-2H3;1H4
InChIKeyBWJCOKNSSUQTCO-UHFFFAOYSA-N
XLogP23.14
TPSA202.89 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002017.41
LogP ≤ 523.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane?
The IUPAC name of benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane (CID 157482892) is benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane.
What is the SMILES notation for benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane?
The canonical SMILES for benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane is C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccc(OC)cc32)cn1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Cc3ccc(O)cc32)cn1.CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(O)cc32)cn1.
What is the InChIKey of benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane?
The InChIKey is BWJCOKNSSUQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H4.C33H37N3O4.C24H31N3O2.C24H29N3O2.CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4-35(5-2)31(37)30-14-12-26(22-34-30)29-21-33(20-25-11-13-27(39-3)19-28(25)29)15-17-36(18-16-33)32(38)40-23-24-9-7-6-8-10-24;2*1-3-27(4-2)23(29)22-8-6-18(16-26-22)21-15-24(9-11-25-12-10-24)14-17-5-7-19(28)13-20(17)21;/h1-2H2;6-14,19,21-22H,4-5,15-18,20,23H2,1-3H3;5-8,13,16,21,25,28H,3-4,9-12,14-15H2,1-2H3;5-8,13,15-16,25,28H,3-4,9-12,14H2,1-2H3;1H4.
What are the key properties of benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane?
benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane has a molecular weight of 2017.41 g/mol, XLogP of 23.14, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[6-(diethylcarbamoyl)-3-pyridinyl]-6-methoxyspiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;N,N-diethyl-5-(7-hydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide;hexapentaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55-pentapentacontaene;methane is sourced from PubChem (CID 157482892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).