methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen

C24H40N4O3 — CID 160602554

IUPACmethyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
SMILESCOC(=O)N1CCC(N2CCC3(CC[C@@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C24H36N4O3.2H2/c1-26(2)22(29)25-21-8-11-24(20-7-5-4-6-19(20)21)12-16-27(17-13-24)18-9-14-28(15-10-18)23(30)31-3;;/h4-7,18,21H,8-17H2,1-3H3,(H,25,29);2*1H/t21-;;/m1../s1
InChIKeyRELYJMKAFQHSCT-GHVWMZMZSA-N
MW432.61 g/mol
LogP3.85
Rot. Bonds2

About methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen

methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen (PubChem CID 160602554) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namemethyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
PubChem CID160602554
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC Namemethyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
SMILESCOC(=O)N1CCC(N2CCC3(CC[C@@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C24H36N4O3.2H2/c1-26(2)22(29)25-21-8-11-24(20-7-5-4-6-19(20)21)12-16-27(17-13-24)18-9-14-28(15-10-18)23(30)31-3;;/h4-7,18,21H,8-17H2,1-3H3,(H,25,29);2*1H/t21-;;/m1../s1
InChIKeyRELYJMKAFQHSCT-GHVWMZMZSA-N
XLogP3.85
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen with MolForge

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Related Compounds

3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
CID 58815698
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488
tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433503
1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea
CID 58815650
1,1-dimethyl-3-[(1R)-1'-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea
CID 58815809
ethyl 4-[(1S)-1-(methoxycarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158796249
ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 58815543
methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 24798108
ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 89136835
3-[(1R)-1'-[2-(2,2-dimethylpropanoyl)-2-azatricyclo[4.3.0.01,3]nonan-8-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
CID 58815657
N-(1'-cycloheptylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;molecular hydrogen
CID 161073343
N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 160599665

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
The IUPAC name of methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen (CID 160602554) is methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen.
What is the SMILES notation for methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
The canonical SMILES for methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen is COC(=O)N1CCC(N2CCC3(CC[C@@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1.[H][H].[H][H].
What is the InChIKey of methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
The InChIKey is RELYJMKAFQHSCT-GHVWMZMZSA-N. The full InChI is InChI=1S/C24H36N4O3.2H2/c1-26(2)22(29)25-21-8-11-24(20-7-5-4-6-19(20)21)12-16-27(17-13-24)18-9-14-28(15-10-18)23(30)31-3;;/h4-7,18,21H,8-17H2,1-3H3,(H,25,29);2*1H/t21-;;/m1../s1.
What are the key properties of methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen has a molecular weight of 432.61 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 160602554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).