1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H23ClN4O2 — CID 24817759

IUPAC1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C19H23ClN4O2/c1-2-24-12-15(10-22-24)9-21-19(26)16-5-8-18(25)23(13-16)11-14-3-6-17(20)7-4-14/h3-4,6-7,10,12,16H,2,5,8-9,11,13H2,1H3,(H,21,26)
InChIKeyGPYBJMJUNMUTLU-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.61
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817759) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817759
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C19H23ClN4O2/c1-2-24-12-15(10-22-24)9-21-19(26)16-5-8-18(25)23(13-16)11-14-3-6-17(20)7-4-14/h3-4,6-7,10,12,16H,2,5,8-9,11,13H2,1H3,(H,21,26)
InChIKeyGPYBJMJUNMUTLU-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817759) is 1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is CCn1cc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GPYBJMJUNMUTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-2-24-12-15(10-22-24)9-21-19(26)16-5-8-18(25)23(13-16)11-14-3-6-17(20)7-4-14/h3-4,6-7,10,12,16H,2,5,8-9,11,13H2,1H3,(H,21,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.61, 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-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).