1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

C20H25ClN4O2 — CID 24819393

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccn(CCNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H25ClN4O2/c1-15-8-12-25(23-15)13-10-22-20(27)17-4-7-19(26)24(14-17)11-9-16-2-5-18(21)6-3-16/h2-3,5-6,8,12,17H,4,7,9-11,13-14H2,1H3,(H,22,27)
InChIKeyTZJRXKANSAATDL-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.44
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24819393) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24819393
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccn(CCNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H25ClN4O2/c1-15-8-12-25(23-15)13-10-22-20(27)17-4-7-19(26)24(14-17)11-9-16-2-5-18(21)6-3-16/h2-3,5-6,8,12,17H,4,7,9-11,13-14H2,1H3,(H,22,27)
InChIKeyTZJRXKANSAATDL-UHFFFAOYSA-N
XLogP2.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24819393) is 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1ccn(CCNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is TZJRXKANSAATDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-15-8-12-25(23-15)13-10-22-20(27)17-4-7-19(26)24(14-17)11-9-16-2-5-18(21)6-3-16/h2-3,5-6,8,12,17H,4,7,9-11,13-14H2,1H3,(H,22,27).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24819393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).