(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

C19H28N4O2 — CID 125155789

IUPAC(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2CN2CCCC2)c1
InChIInChI=1S/C19H28N4O2/c1-15(24)20-16-7-6-8-17(13-16)21-19(25)23-12-3-2-9-18(23)14-22-10-4-5-11-22/h6-8,13,18H,2-5,9-12,14H2,1H3,(H,20,24)(H,21,25)/t18-/m0/s1
InChIKeyIEZRVHRUUMKSBX-SFHVURJKSA-N
MW344.46 g/mol
LogP3.13
Rot. Bonds4

About (2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 125155789) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID125155789
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2CN2CCCC2)c1
InChIInChI=1S/C19H28N4O2/c1-15(24)20-16-7-6-8-17(13-16)21-19(25)23-12-3-2-9-18(23)14-22-10-4-5-11-22/h6-8,13,18H,2-5,9-12,14H2,1H3,(H,20,24)(H,21,25)/t18-/m0/s1
InChIKeyIEZRVHRUUMKSBX-SFHVURJKSA-N
XLogP3.13
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-[3-(propan-2-yloxymethyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56826998
(2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125162811
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylphenyl)azepane-1-carboxamide
CID 91919808
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246
(2S)-2-(aminomethyl)-N-[3-(butanoylamino)phenyl]piperidine-1-carboxamide
CID 125164189
N-(3-methylphenyl)-3-(piperidin-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90568969
N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56827021
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (CID 125155789) is (2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is CC(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2CN2CCCC2)c1.
What is the InChIKey of (2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is IEZRVHRUUMKSBX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(24)20-16-7-6-8-17(13-16)21-19(25)23-12-3-2-9-18(23)14-22-10-4-5-11-22/h6-8,13,18H,2-5,9-12,14H2,1H3,(H,20,24)(H,21,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125155789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).