1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide

C16H22N2O — CID 23062043

IUPAC1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
SMILESCC1CN(Cc2ccccc2)CC1C(=O)NC1CC1
InChIInChI=1S/C16H22N2O/c1-12-9-18(10-13-5-3-2-4-6-13)11-15(12)16(19)17-14-7-8-14/h2-6,12,14-15H,7-11H2,1H3,(H,17,19)
InChIKeyUUPRZHFECHMJNI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.03
Rot. Bonds4

About 1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide

1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide (PubChem CID 23062043) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
PubChem CID23062043
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
SMILESCC1CN(Cc2ccccc2)CC1C(=O)NC1CC1
InChIInChI=1S/C16H22N2O/c1-12-9-18(10-13-5-3-2-4-6-13)11-15(12)16(19)17-14-7-8-14/h2-6,12,14-15H,7-11H2,1H3,(H,17,19)
InChIKeyUUPRZHFECHMJNI-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide
CID 155963829
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-(4-hydroxycyclohexyl)pyrrolidine-3-carboxamide
CID 46968037
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide
CID 18723473
benzyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 86678243
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)urea
CID 124738956
1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
CID 166256732
(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 128984584
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
(3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 128984998
N'-amino-1-benzyl-4-methylpyrrolidine-3-carboximidamide
CID 87170150

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide (CID 23062043) is 1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide is CC1CN(Cc2ccccc2)CC1C(=O)NC1CC1.
What is the InChIKey of 1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide?
The InChIKey is UUPRZHFECHMJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-9-18(10-13-5-3-2-4-6-13)11-15(12)16(19)17-14-7-8-14/h2-6,12,14-15H,7-11H2,1H3,(H,17,19).
What are the key properties of 1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide?
1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 23062043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).