N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide

C18H26N2O — CID 86880652

IUPACN-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(c2ccccc2)C2CCCC2)C1
InChIInChI=1S/C18H26N2O/c1-14-11-12-20(13-14)18(21)19-17(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,19,21)
InChIKeyOBKQUAYBBDZQOU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.97
Rot. Bonds3

About N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide

N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 86880652) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
PubChem CID86880652
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(c2ccccc2)C2CCCC2)C1
InChIInChI=1S/C18H26N2O/c1-14-11-12-20(13-14)18(21)19-17(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,19,21)
InChIKeyOBKQUAYBBDZQOU-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
CID 86880551
1-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000934
4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86802695
N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 99619266
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
CID 1292213
(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
CID 95573097
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide (CID 86880652) is N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide is CC1CCN(C(=O)NC(c2ccccc2)C2CCCC2)C1.
What is the InChIKey of N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide?
The InChIKey is OBKQUAYBBDZQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-11-12-20(13-14)18(21)19-17(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,19,21).
What are the key properties of N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide?
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 86880652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).