(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide

C18H25ClN4O2 — CID 97000579

IUPAC(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)N1CCN(C)CC1
InChIInChI=1S/C18H25ClN4O2/c1-13(22-11-9-21(2)10-12-22)17(24)20-15-7-8-23(18(15)25)16-6-4-3-5-14(16)19/h3-6,13,15H,7-12H2,1-2H3,(H,20,24)/t13-,15+/m0/s1
InChIKeyNCKZOGRHSOSJQA-DZGCQCFKSA-N
MW364.88 g/mol
LogP1.20
Rot. Bonds4

About (2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide

(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 97000579) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID97000579
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)N1CCN(C)CC1
InChIInChI=1S/C18H25ClN4O2/c1-13(22-11-9-21(2)10-12-22)17(24)20-15-7-8-23(18(15)25)16-6-4-3-5-14(16)19/h3-6,13,15H,7-12H2,1-2H3,(H,20,24)/t13-,15+/m0/s1
InChIKeyNCKZOGRHSOSJQA-DZGCQCFKSA-N
XLogP1.20
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 95322197
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95619997
1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-phenylacetamide;hydrochloride
CID 119334565
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide
CID 136543947
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578
(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 94669702
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
(2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
CID 124618540

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide (CID 97000579) is (2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide is C[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)N1CCN(C)CC1.
What is the InChIKey of (2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is NCKZOGRHSOSJQA-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-13(22-11-9-21(2)10-12-22)17(24)20-15-7-8-23(18(15)25)16-6-4-3-5-14(16)19/h3-6,13,15H,7-12H2,1-2H3,(H,20,24)/t13-,15+/m0/s1.
What are the key properties of (2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide?
(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 364.88 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 97000579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).