N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide

C19H25ClN4O3 — CID 110346261

IUPACN-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
SMILESCCCN1CC(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1=O
InChIInChI=1S/C19H25ClN4O3/c1-2-6-24-13-14(11-17(24)25)18(26)22-7-9-23(10-8-22)19(27)21-16-5-3-4-15(20)12-16/h3-5,12,14H,2,6-11,13H2,1H3,(H,21,27)
InChIKeyWNTPNSATICEJNY-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.27
Rot. Bonds4

About N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide (PubChem CID 110346261) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
PubChem CID110346261
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC NameN-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
SMILESCCCN1CC(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1=O
InChIInChI=1S/C19H25ClN4O3/c1-2-6-24-13-14(11-17(24)25)18(26)22-7-9-23(10-8-22)19(27)21-16-5-3-4-15(20)12-16/h3-5,12,14H,2,6-11,13H2,1H3,(H,21,27)
InChIKeyWNTPNSATICEJNY-UHFFFAOYSA-N
XLogP2.27
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N,N-dimethyl-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346275
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283
4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346248
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
(4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 154822925
N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide
CID 110746926
4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 82042053
1-butyl-N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153436

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide (CID 110346261) is N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide is CCCN1CC(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1=O.
What is the InChIKey of N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is WNTPNSATICEJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-2-6-24-13-14(11-17(24)25)18(26)22-7-9-23(10-8-22)19(27)21-16-5-3-4-15(20)12-16/h3-5,12,14H,2,6-11,13H2,1H3,(H,21,27).
What are the key properties of N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 110346261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).