(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide

C21H31N3O — CID 120636405

IUPAC(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)CCN1
InChIInChI=1S/C21H31N3O/c1-15-11-17(9-10-22-15)21(25)23-18-12-19-7-8-20(13-18)24(19)14-16-5-3-2-4-6-16/h2-6,15,17-20,22H,7-14H2,1H3,(H,23,25)/t15-,17-,18?,19?,20?/m0/s1
InChIKeyCIECUTKTKNYABT-IHYIIXOBSA-N
MW341.50 g/mol
LogP2.69
Rot. Bonds4

About (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide (PubChem CID 120636405) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide
PubChem CID120636405
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)CCN1
InChIInChI=1S/C21H31N3O/c1-15-11-17(9-10-22-15)21(25)23-18-12-19-7-8-20(13-18)24(19)14-16-5-3-2-4-6-16/h2-6,15,17-20,22H,7-14H2,1H3,(H,23,25)/t15-,17-,18?,19?,20?/m0/s1
InChIKeyCIECUTKTKNYABT-IHYIIXOBSA-N
XLogP2.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119885996
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
CID 119886001
(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 120647087
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 120637262
(2S,4S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631803
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120599716
(1R,5S)-8-benzyl-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 70099398
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-chlorophenyl)urea
CID 43813857

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide (CID 120636405) is (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)CCN1.
What is the InChIKey of (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide?
The InChIKey is CIECUTKTKNYABT-IHYIIXOBSA-N. The full InChI is InChI=1S/C21H31N3O/c1-15-11-17(9-10-22-15)21(25)23-18-12-19-7-8-20(13-18)24(19)14-16-5-3-2-4-6-16/h2-6,15,17-20,22H,7-14H2,1H3,(H,23,25)/t15-,17-,18?,19?,20?/m0/s1.
What are the key properties of (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120636405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).