N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide

C16H22N2O — CID 54152625

IUPACN-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NCC1CCCN1CC1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O/c19-16(14-5-2-1-3-6-14)17-11-15-7-4-10-18(15)12-13-8-9-13/h1-3,5-6,13,15H,4,7-12H2,(H,17,19)
InChIKeyOIUFWMBUDATBOE-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.29
Rot. Bonds5

About N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide

N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide (PubChem CID 54152625) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide
PubChem CID54152625
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NCC1CCCN1CC1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O/c19-16(14-5-2-1-3-6-14)17-11-15-7-4-10-18(15)12-13-8-9-13/h1-3,5-6,13,15H,4,7-12H2,(H,17,19)
InChIKeyOIUFWMBUDATBOE-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R,4S,5R)-5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide
CID 40779906
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide
CID 111613868
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
CID 119766246
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92895804
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide (CID 54152625) is N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide is O=C(NCC1CCCN1CC1CC1)c1ccccc1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is OIUFWMBUDATBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(14-5-2-1-3-6-14)17-11-15-7-4-10-18(15)12-13-8-9-13/h1-3,5-6,13,15H,4,7-12H2,(H,17,19).
What are the key properties of N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide?
N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 258.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 54152625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).