2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide

C19H27ClN4O2 — CID 119392607

IUPAC2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NCCCN2CCNCC2)C1c1cccc(Cl)c1
InChIInChI=1S/C19H27ClN4O2/c1-23-17(25)13-16(18(23)14-4-2-5-15(20)12-14)19(26)22-6-3-9-24-10-7-21-8-11-24/h2,4-5,12,16,18,21H,3,6-11,13H2,1H3,(H,22,26)
InChIKeyXYJWSQIAUHMWTC-UHFFFAOYSA-N
MW378.90 g/mol
LogP1.27
Rot. Bonds6

About 2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide

2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 119392607) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID119392607
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NCCCN2CCNCC2)C1c1cccc(Cl)c1
InChIInChI=1S/C19H27ClN4O2/c1-23-17(25)13-16(18(23)14-4-2-5-15(20)12-14)19(26)22-6-3-9-24-10-7-21-8-11-24/h2,4-5,12,16,18,21H,3,6-11,13H2,1H3,(H,22,26)
InChIKeyXYJWSQIAUHMWTC-UHFFFAOYSA-N
XLogP1.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177320
1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119392654
N-(2-amino-2-methylpropyl)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119628158
N-[2-(4-aminophenyl)ethyl]-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119548591
4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119165542
(2S,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317115
(2R,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317117
(2S,3S)-N-butyl-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740531
(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95242214
5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119578510
(2S,3S)-2-(3-chlorophenyl)-1-methyl-5-oxo-N'-pyrimidin-2-ylpyrrolidine-3-carbohydrazide
CID 95628484
cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679019

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide (CID 119392607) is 2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide is CN1C(=O)CC(C(=O)NCCCN2CCNCC2)C1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is XYJWSQIAUHMWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-23-17(25)13-16(18(23)14-4-2-5-15(20)12-14)19(26)22-6-3-9-24-10-7-21-8-11-24/h2,4-5,12,16,18,21H,3,6-11,13H2,1H3,(H,22,26).
What are the key properties of 2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119392607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).