N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride

C19H28ClN3O3 — CID 119568459

IUPACN-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CN2CC(C(=O)NC3(CN)CCCC3)CC2=O)cc1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-16-6-4-14(5-7-16)11-22-12-15(10-17(22)23)18(24)21-19(13-20)8-2-3-9-19;/h4-7,15H,2-3,8-13,20H2,1H3,(H,21,24);1H
InChIKeyWGCZMAPYEYZSON-UHFFFAOYSA-N
MW381.90 g/mol
LogP1.85
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119568459) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119568459
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CN2CC(C(=O)NC3(CN)CCCC3)CC2=O)cc1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-16-6-4-14(5-7-16)11-22-12-15(10-17(22)23)18(24)21-19(13-20)8-2-3-9-19;/h4-7,15H,2-3,8-13,20H2,1H3,(H,21,24);1H
InChIKeyWGCZMAPYEYZSON-UHFFFAOYSA-N
XLogP1.85
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 119214831
N-[3-(aminomethyl)pentan-3-yl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119572050
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95280870
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
N-[2-(aminomethyl)cyclohexyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119612498
N-[1-(aminomethyl)cyclopentyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119566358
N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119588786
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242
N-(2-amino-5-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119421804
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4126186
(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119568459) is N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride is COc1ccc(CN2CC(C(=O)NC3(CN)CCCC3)CC2=O)cc1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is WGCZMAPYEYZSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-25-16-6-4-14(5-7-16)11-22-12-15(10-17(22)23)18(24)21-19(13-20)8-2-3-9-19;/h4-7,15H,2-3,8-13,20H2,1H3,(H,21,24);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119568459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).