(2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide

C19H25ClN4O3 — CID 25271329

IUPAC(2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)N1C(=O)CC[C@H]1C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H25ClN4O3/c1-14(25)24-17(5-6-18(24)26)19(27)21-7-8-22-9-11-23(12-10-22)16-4-2-3-15(20)13-16/h2-4,13,17H,5-12H2,1H3,(H,21,27)/t17-/m0/s1
InChIKeyWULIYSKUKWNMPZ-KRWDZBQOSA-N
MW392.89 g/mol
LogP1.12
Rot. Bonds5

About (2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide

(2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 25271329) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID25271329
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name(2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)N1C(=O)CC[C@H]1C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H25ClN4O3/c1-14(25)24-17(5-6-18(24)26)19(27)21-7-8-22-9-11-23(12-10-22)16-4-2-3-15(20)13-16/h2-4,13,17H,5-12H2,1H3,(H,21,27)/t17-/m0/s1
InChIKeyWULIYSKUKWNMPZ-KRWDZBQOSA-N
XLogP1.12
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
CID 120801708
4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride
CID 119903745
(2S)-2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide;trihydrochloride
CID 119903725
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-3-carboxamide
CID 119902990
N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86899023
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95055116
(E)-3-(3-chloro-4-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 38756154
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
CID 4518994

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide (CID 25271329) is (2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide is CC(=O)N1C(=O)CC[C@H]1C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WULIYSKUKWNMPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-14(25)24-17(5-6-18(24)26)19(27)21-7-8-22-9-11-23(12-10-22)16-4-2-3-15(20)13-16/h2-4,13,17H,5-12H2,1H3,(H,21,27)/t17-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 25271329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).