(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide

C17H23N3O2 — CID 120631994

IUPAC(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)CCN1
InChIInChI=1S/C17H23N3O2/c1-11-9-13(7-8-18-11)17(22)20-15-4-2-3-12(10-15)16(21)19-14-5-6-14/h2-4,10-11,13-14,18H,5-9H2,1H3,(H,19,21)(H,20,22)/t11-,13-/m0/s1
InChIKeySUMUDZZERNAPQE-AAEUAGOBSA-N
MW301.39 g/mol
LogP1.91
Rot. Bonds4

About (2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120631994) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120631994
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)CCN1
InChIInChI=1S/C17H23N3O2/c1-11-9-13(7-8-18-11)17(22)20-15-4-2-3-12(10-15)16(21)19-14-5-6-14/h2-4,10-11,13-14,18H,5-9H2,1H3,(H,19,21)(H,20,22)/t11-,13-/m0/s1
InChIKeySUMUDZZERNAPQE-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)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120598473
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 120624438
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120624437
3-[(2-methylcyclopropanecarbonyl)amino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388968
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
N-(4-hydroxycyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110888559
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide (CID 120631994) is (2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)CCN1.
What is the InChIKey of (2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is SUMUDZZERNAPQE-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-9-13(7-8-18-11)17(22)20-15-4-2-3-12(10-15)16(21)19-14-5-6-14/h2-4,10-11,13-14,18H,5-9H2,1H3,(H,19,21)(H,20,22)/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3-(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-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120631994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).