1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride

C17H24ClN3O2 — CID 119285129

IUPAC1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(CN3CCCC3=O)cc2)CCCC1
InChIInChI=1S/C17H23N3O2.ClH/c18-17(9-1-2-10-17)16(22)19-14-7-5-13(6-8-14)12-20-11-3-4-15(20)21;/h5-8H,1-4,9-12,18H2,(H,19,22);1H
InChIKeyORBOCYWNKQUXAG-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.44
Rot. Bonds4

About 1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119285129) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119285129
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(CN3CCCC3=O)cc2)CCCC1
InChIInChI=1S/C17H23N3O2.ClH/c18-17(9-1-2-10-17)16(22)19-14-7-5-13(6-8-14)12-20-11-3-4-15(20)21;/h5-8H,1-4,9-12,18H2,(H,19,22);1H
InChIKeyORBOCYWNKQUXAG-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119285117
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 119270721
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119688467
1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119901588
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119315486
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119285120

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119285129) is 1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc(CN3CCCC3=O)cc2)CCCC1.
What is the InChIKey of 1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is ORBOCYWNKQUXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c18-17(9-1-2-10-17)16(22)19-14-7-5-13(6-8-14)12-20-11-3-4-15(20)21;/h5-8H,1-4,9-12,18H2,(H,19,22);1H.
What are the key properties of 1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119285129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).