N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride

C17H24ClN3O2 — CID 119566321

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2cccc(N3CCCC3=O)c2)CCCC1
InChIInChI=1S/C17H23N3O2.ClH/c18-12-17(8-1-2-9-17)19-16(22)13-5-3-6-14(11-13)20-10-4-7-15(20)21;/h3,5-6,11H,1-2,4,7-10,12,18H2,(H,19,22);1H
InChIKeyCHUAMHRLLDBRPS-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.24
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride (PubChem CID 119566321) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
PubChem CID119566321
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2cccc(N3CCCC3=O)c2)CCCC1
InChIInChI=1S/C17H23N3O2.ClH/c18-12-17(8-1-2-9-17)19-16(22)13-5-3-6-14(11-13)20-10-4-7-15(20)21;/h3,5-6,11H,1-2,4,7-10,12,18H2,(H,19,22);1H
InChIKeyCHUAMHRLLDBRPS-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119566322
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317766
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride (CID 119566321) is N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride is Cl.NCC1(NC(=O)c2cccc(N3CCCC3=O)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The InChIKey is CHUAMHRLLDBRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c18-12-17(8-1-2-9-17)19-16(22)13-5-3-6-14(11-13)20-10-4-7-15(20)21;/h3,5-6,11H,1-2,4,7-10,12,18H2,(H,19,22);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119566321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).