N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

C48H72N6O3 — CID 157345224

IUPACN-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCC2(CCN(CCC3CCN(C(C)=O)CC3)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC3CCNCC3)CC2)c2ccccc21
InChIInChI=1S/C25H37N3O2.C23H35N3O/c1-19(29)26-24-7-11-25(23-6-4-3-5-22(23)24)12-17-27(18-13-25)14-8-21-9-15-28(16-10-21)20(2)30;1-18(27)25-22-6-10-23(21-5-3-2-4-20(21)22)11-16-26(17-12-23)15-9-19-7-13-24-14-8-19/h3-6,21,24H,7-18H2,1-2H3,(H,26,29);2-5,19,22,24H,6-17H2,1H3,(H,25,27)/t24-;22-/m00/s1
InChIKeyBGWNLGNMZJUBAP-YCBRDRRGSA-N
MW781.14 g/mol
LogP7.02
Rot. Bonds8

About N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 157345224) has the molecular formula C48H72N6O3 and a molecular weight of 781.14 g/mol. Its IUPAC name is N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
PubChem CID157345224
Molecular FormulaC48H72N6O3
Molecular Weight781.14 g/mol
Exact Mass780.57
IUPAC NameN-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCC2(CCN(CCC3CCN(C(C)=O)CC3)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC3CCNCC3)CC2)c2ccccc21
InChIInChI=1S/C25H37N3O2.C23H35N3O/c1-19(29)26-24-7-11-25(23-6-4-3-5-22(23)24)12-17-27(18-13-25)14-8-21-9-15-28(16-10-21)20(2)30;1-18(27)25-22-6-10-23(21-5-3-2-4-20(21)22)11-16-26(17-12-23)15-9-19-7-13-24-14-8-19/h3-6,21,24H,7-18H2,1-2H3,(H,26,29);2-5,19,22,24H,6-17H2,1H3,(H,25,27)/t24-;22-/m00/s1
InChIKeyBGWNLGNMZJUBAP-YCBRDRRGSA-N
XLogP7.02
TPSA97.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.14
LogP ≤ 57.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide with MolForge

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Related Compounds

Chir-29498
CID 72941775
1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 42693525
N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide
CID 24876006
1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide
CID 24876349
1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-4-carboxamide
CID 24876590
N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide
CID 58033733
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 58033823
N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 58033882
N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide
CID 143533016
1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 158628332
N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 159368286
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 160475892

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 157345224) is N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@H]1CCC2(CCN(CCC3CCN(C(C)=O)CC3)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC3CCNCC3)CC2)c2ccccc21.
What is the InChIKey of N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The InChIKey is BGWNLGNMZJUBAP-YCBRDRRGSA-N. The full InChI is InChI=1S/C25H37N3O2.C23H35N3O/c1-19(29)26-24-7-11-25(23-6-4-3-5-22(23)24)12-17-27(18-13-25)14-8-21-9-15-28(16-10-21)20(2)30;1-18(27)25-22-6-10-23(21-5-3-2-4-20(21)22)11-16-26(17-12-23)15-9-19-7-13-24-14-8-19/h3-6,21,24H,7-18H2,1-2H3,(H,26,29);2-5,19,22,24H,6-17H2,1H3,(H,25,27)/t24-;22-/m00/s1.
What are the key properties of N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 781.14 g/mol, XLogP of 7.02, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-[2-(1-acetylpiperidin-4-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(2-piperidin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 157345224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).