1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide

C20H26ClN3O3 — CID 24817853

IUPAC1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCCC1=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H26ClN3O3/c21-17-6-3-15(4-7-17)9-12-24-14-16(5-8-19(24)26)20(27)22-10-13-23-11-1-2-18(23)25/h3-4,6-7,16H,1-2,5,8-14H2,(H,22,27)
InChIKeySVJSHEKFSMHDLE-UHFFFAOYSA-N
MW391.90 g/mol
LogP1.86
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 24817853) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID24817853
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCCC1=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H26ClN3O3/c21-17-6-3-15(4-7-17)9-12-24-14-16(5-8-19(24)26)20(27)22-10-13-23-11-1-2-18(23)25/h3-4,6-7,16H,1-2,5,8-14H2,(H,22,27)
InChIKeySVJSHEKFSMHDLE-UHFFFAOYSA-N
XLogP1.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

Uamc00039
CID 11232124
N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide
CID 2926616
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one
CID 11359214
2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810963
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 24758045
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24758047
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 24758173
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide
CID 24758743
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylpropanamide
CID 24759740

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide (CID 24817853) is 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide is O=C(NCCN1CCCC1=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is SVJSHEKFSMHDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c21-17-6-3-15(4-7-17)9-12-24-14-16(5-8-19(24)26)20(27)22-10-13-23-11-1-2-18(23)25/h3-4,6-7,16H,1-2,5,8-14H2,(H,22,27).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).