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

C19H23ClN4O2 — CID 24793162

IUPAC1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccn(CCNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H23ClN4O2/c1-14-8-10-24(22-14)11-9-21-19(26)16-4-7-18(25)23(13-16)12-15-2-5-17(20)6-3-15/h2-3,5-6,8,10,16H,4,7,9,11-13H2,1H3,(H,21,26)
InChIKeyRKKOGKSHLXAOCV-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.40
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24793162) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24793162
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccn(CCNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H23ClN4O2/c1-14-8-10-24(22-14)11-9-21-19(26)16-4-7-18(25)23(13-16)12-15-2-5-17(20)6-3-15/h2-3,5-6,8,10,16H,4,7,9,11-13H2,1H3,(H,21,26)
InChIKeyRKKOGKSHLXAOCV-UHFFFAOYSA-N
XLogP2.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.40
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-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24793162) is 1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1ccn(CCNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is RKKOGKSHLXAOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14-8-10-24(22-14)11-9-21-19(26)16-4-7-18(25)23(13-16)12-15-2-5-17(20)6-3-15/h2-3,5-6,8,10,16H,4,7,9,11-13H2,1H3,(H,21,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.40, 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-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).