N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide

C19H27N3O2 — CID 108876535

IUPACN-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-2-17-10-6-7-11-22(17)19(24)20-16-12-18(23)21(14-16)13-15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3,(H,20,24)
InChIKeyQAMSVWQVVMLEAY-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.76
Rot. Bonds4

About N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide

N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide (PubChem CID 108876535) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide
PubChem CID108876535
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-2-17-10-6-7-11-22(17)19(24)20-16-12-18(23)21(14-16)13-15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3,(H,20,24)
InChIKeyQAMSVWQVVMLEAY-UHFFFAOYSA-N
XLogP2.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513252
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
CID 7548618
ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate
CID 108876410
(2R)-2-ethyl-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7547783
4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 108876487
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
(2R)-2-ethyl-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7546843
N-(1-benzyl-5-oxopyrrolidin-3-yl)thiomorpholine-4-carboxamide
CID 56826197
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513267
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide?
The IUPAC name of N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide (CID 108876535) is N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide is CCC1CCCCN1C(=O)NC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide?
The InChIKey is QAMSVWQVVMLEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-17-10-6-7-11-22(17)19(24)20-16-12-18(23)21(14-16)13-15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3,(H,20,24).
What are the key properties of N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide?
N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 108876535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).