N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C15H20ClN3O2 — CID 119273024

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(N2CCCC2=O)c1)C1CCCN1
InChIInChI=1S/C15H19N3O2.ClH/c19-14-7-3-9-18(14)12-5-1-4-11(10-12)17-15(20)13-6-2-8-16-13;/h1,4-5,10,13,16H,2-3,6-9H2,(H,17,20);1H
InChIKeyJQURPRKQQCKGIS-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.93
Rot. Bonds3

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119273024) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119273024
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(N2CCCC2=O)c1)C1CCCN1
InChIInChI=1S/C15H19N3O2.ClH/c19-14-7-3-9-18(14)12-5-1-4-11(10-12)17-15(20)13-6-2-8-16-13;/h1,4-5,10,13,16H,2-3,6-9H2,(H,17,20);1H
InChIKeyJQURPRKQQCKGIS-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103795360
N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
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N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549
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N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692820
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
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(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 22689961
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119290061
1-cyclopentyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71912128

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119273024) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(N2CCCC2=O)c1)C1CCCN1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JQURPRKQQCKGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c19-14-7-3-9-18(14)12-5-1-4-11(10-12)17-15(20)13-6-2-8-16-13;/h1,4-5,10,13,16H,2-3,6-9H2,(H,17,20);1H.
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119273024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).