(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide

C17H26N2O2 — CID 120618239

IUPAC(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide
SMILESCCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-16(13-5-7-15(21-3)8-6-13)19-17(20)14-9-10-18-12(2)11-14/h5-8,12,14,16,18H,4,9-11H2,1-3H3,(H,19,20)/t12-,14-,16?/m0/s1
InChIKeyDPFRWCMZLHAYPS-GKPPEQDDSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds5

About (2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120618239) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide
PubChem CID120618239
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide
SMILESCCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-16(13-5-7-15(21-3)8-6-13)19-17(20)14-9-10-18-12(2)11-14/h5-8,12,14,16,18H,4,9-11H2,1-3H3,(H,19,20)/t12-,14-,16?/m0/s1
InChIKeyDPFRWCMZLHAYPS-GKPPEQDDSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120623267
N-[1-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 43708609
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
(2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621809
N-[1-(4-methoxyphenyl)propyl]-2-piperidin-4-ylacetamide
CID 61029711
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072801
(4S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311059
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624355
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46776533

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide (CID 120618239) is (2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide is CCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(OC)cc1.
What is the InChIKey of (2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is DPFRWCMZLHAYPS-GKPPEQDDSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-16(13-5-7-15(21-3)8-6-13)19-17(20)14-9-10-18-12(2)11-14/h5-8,12,14,16,18H,4,9-11H2,1-3H3,(H,19,20)/t12-,14-,16?/m0/s1.
What are the key properties of (2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120618239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).