2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide

C20H29N3O2 — CID 87004700

IUPAC2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H29N3O2/c1-2-18-9-3-4-12-23(18)20(25)21-14-16-7-5-8-17(13-16)15-22-11-6-10-19(22)24/h5,7-8,13,18H,2-4,6,9-12,14-15H2,1H3,(H,21,25)
InChIKeyNHTSHRCNPHLUCK-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.28
Rot. Bonds5

About 2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide

2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 87004700) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
PubChem CID87004700
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H29N3O2/c1-2-18-9-3-4-12-23(18)20(25)21-14-16-7-5-8-17(13-16)15-22-11-6-10-19(22)24/h5,7-8,13,18H,2-4,6,9-12,14-15H2,1H3,(H,21,25)
InChIKeyNHTSHRCNPHLUCK-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658
(2S)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031216
(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031215
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
1-cyclopentyl-2-methyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110989900
2-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 108898255
trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131992
1-[[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 154762151
(2R)-2-(cyclopropylmethoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]propanamide
CID 95235473
3-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122001351

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide (CID 87004700) is 2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide is CCC1CCCCN1C(=O)NCc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is NHTSHRCNPHLUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-18-9-3-4-12-23(18)20(25)21-14-16-7-5-8-17(13-16)15-22-11-6-10-19(22)24/h5,7-8,13,18H,2-4,6,9-12,14-15H2,1H3,(H,21,25).
What are the key properties of 2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide?
2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 87004700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).