(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide

C17H23N3O2 — CID 120619355

IUPAC(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CCN1
InChIInChI=1S/C17H23N3O2/c1-11-10-13(8-9-18-11)17(22)20-14-4-2-12(3-5-14)16(21)19-15-6-7-15/h2-5,11,13,15,18H,6-10H2,1H3,(H,19,21)(H,20,22)/t11-,13-/m0/s1
InChIKeyWTSBEOIWGYJFSC-AAEUAGOBSA-N
MW301.39 g/mol
LogP1.91
Rot. Bonds4

About (2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120619355) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120619355
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CCN1
InChIInChI=1S/C17H23N3O2/c1-11-10-13(8-9-18-11)17(22)20-14-4-2-12(3-5-14)16(21)19-15-6-7-15/h2-5,11,13,15,18H,6-10H2,1H3,(H,19,21)(H,20,22)/t11-,13-/m0/s1
InChIKeyWTSBEOIWGYJFSC-AAEUAGOBSA-N
XLogP1.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120645418
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119713611

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide (CID 120619355) is (2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CCN1.
What is the InChIKey of (2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is WTSBEOIWGYJFSC-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-10-13(8-9-18-11)17(22)20-14-4-2-12(3-5-14)16(21)19-15-6-7-15/h2-5,11,13,15,18H,6-10H2,1H3,(H,19,21)(H,20,22)/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120619355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).