2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C19H27N3O2 — CID 108875809

IUPAC2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NC1CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-14-8-6-7-11-21(14)19(24)20-17-12-18(23)22(13-17)15(2)16-9-4-3-5-10-16/h3-5,9-10,14-15,17H,6-8,11-13H2,1-2H3,(H,20,24)
InChIKeyRZARMQOSAISZAL-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.93
Rot. Bonds3

About 2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide

2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 108875809) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID108875809
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NC1CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-14-8-6-7-11-21(14)19(24)20-17-12-18(23)22(13-17)15(2)16-9-4-3-5-10-16/h3-5,9-10,14-15,17H,6-8,11-13H2,1-2H3,(H,20,24)
InChIKeyRZARMQOSAISZAL-UHFFFAOYSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 108876894
1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875834
4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
CID 108875871
trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 124858174
N-benzhydryl-2-methylpiperidine-1-carboxamide
CID 108867475
N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 108875898
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119434412
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
1-(2,6-dichlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875924
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide
CID 43969528
4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
CID 108875946
4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
CID 108875887

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 108875809) is 2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CC1CCCCN1C(=O)NC1CC(=O)N(C(C)c2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is RZARMQOSAISZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-8-6-7-11-21(14)19(24)20-17-12-18(23)22(13-17)15(2)16-9-4-3-5-10-16/h3-5,9-10,14-15,17H,6-8,11-13H2,1-2H3,(H,20,24).
What are the key properties of 2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 108875809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).