N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C19H28ClN3O3 — CID 119566446

IUPACN-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(C)cc1N1CC(C(=O)NC2(CN)CCCC2)CC1=O.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-13-5-6-16(25-2)15(9-13)22-11-14(10-17(22)23)18(24)21-19(12-20)7-3-4-8-19;/h5-6,9,14H,3-4,7-8,10-12,20H2,1-2H3,(H,21,24);1H
InChIKeySOJASNKHIHGUIE-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.17
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119566446) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119566446
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(C)cc1N1CC(C(=O)NC2(CN)CCCC2)CC1=O.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-13-5-6-16(25-2)15(9-13)22-11-14(10-17(22)23)18(24)21-19(12-20)7-3-4-8-19;/h5-6,9,14H,3-4,7-8,10-12,20H2,1-2H3,(H,21,24);1H
InChIKeySOJASNKHIHGUIE-UHFFFAOYSA-N
XLogP2.17
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904638
N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119567430
N-[2-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119602641
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119476469
N-[1-(aminomethyl)cyclopentyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119566358
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 120805881
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363496
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363499

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119566446) is N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is COc1ccc(C)cc1N1CC(C(=O)NC2(CN)CCCC2)CC1=O.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is SOJASNKHIHGUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-13-5-6-16(25-2)15(9-13)22-11-14(10-17(22)23)18(24)21-19(12-20)7-3-4-8-19;/h5-6,9,14H,3-4,7-8,10-12,20H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.17, 5 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-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119566446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).