(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide

C18H28N2O2 — CID 120625841

IUPAC(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)COc1cccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-13(2)12-22-17-6-4-5-15(10-17)11-20-18(21)16-7-8-19-14(3)9-16/h4-6,10,13-14,16,19H,7-9,11-12H2,1-3H3,(H,20,21)/t14-,16-/m0/s1
InChIKeyQCDXGKFFCFGEDI-HOCLYGCPSA-N
MW304.43 g/mol
LogP2.73
Rot. Bonds6

About (2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 120625841) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID120625841
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)COc1cccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-13(2)12-22-17-6-4-5-15(10-17)11-20-18(21)16-7-8-19-14(3)9-16/h4-6,10,13-14,16,19H,7-9,11-12H2,1-3H3,(H,20,21)/t14-,16-/m0/s1
InChIKeyQCDXGKFFCFGEDI-HOCLYGCPSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
(2S,4S)-N-[(3-butoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621207
(2S,4S)-N-[[3-(3-methoxypropoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120639826
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751138
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 119751157
(2S,4S)-2-methyl-N-[2-(3-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120640817
(2S,4S)-2-methyl-N-[[3-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630059
(2S,4S)-2-methyl-N-[2-[3-(3-phenylpropoxy)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120631933
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119751165
(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620915

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide (CID 120625841) is (2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide is CC(C)COc1cccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1.
What is the InChIKey of (2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is QCDXGKFFCFGEDI-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)12-22-17-6-4-5-15(10-17)11-20-18(21)16-7-8-19-14(3)9-16/h4-6,10,13-14,16,19H,7-9,11-12H2,1-3H3,(H,20,21)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120625841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).