1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

C20H25ClN4O2 — CID 24790712

IUPAC1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H25ClN4O2/c1-14-11-15(2)25(23-14)10-9-22-20(27)17-5-8-19(26)24(13-17)12-16-3-6-18(21)7-4-16/h3-4,6-7,11,17H,5,8-10,12-13H2,1-2H3,(H,22,27)
InChIKeyBTJCXTSUETVKQA-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.71
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790712) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790712
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H25ClN4O2/c1-14-11-15(2)25(23-14)10-9-22-20(27)17-5-8-19(26)24(13-17)12-16-3-6-18(21)7-4-16/h3-4,6-7,11,17H,5,8-10,12-13H2,1-2H3,(H,22,27)
InChIKeyBTJCXTSUETVKQA-UHFFFAOYSA-N
XLogP2.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24790712) is 1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is BTJCXTSUETVKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-14-11-15(2)25(23-14)10-9-22-20(27)17-5-8-19(26)24(13-17)12-16-3-6-18(21)7-4-16/h3-4,6-7,11,17H,5,8-10,12-13H2,1-2H3,(H,22,27).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).