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

C18H21ClN4O2 — CID 24819574

IUPAC1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCn1cc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-22-10-14(9-21-22)8-20-18(25)15-4-7-17(24)23(12-15)11-13-2-5-16(19)6-3-13/h2-3,5-6,9-10,15H,4,7-8,11-12H2,1H3,(H,20,25)
InChIKeyKUMMUKYYONHHGR-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.13
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24819574) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24819574
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCn1cc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-22-10-14(9-21-22)8-20-18(25)15-4-7-17(24)23(12-15)11-13-2-5-16(19)6-3-13/h2-3,5-6,9-10,15H,4,7-8,11-12H2,1H3,(H,20,25)
InChIKeyKUMMUKYYONHHGR-UHFFFAOYSA-N
XLogP2.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.13
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-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24819574) is 1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is Cn1cc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is KUMMUKYYONHHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-22-10-14(9-21-22)8-20-18(25)15-4-7-17(24)23(12-15)11-13-2-5-16(19)6-3-13/h2-3,5-6,9-10,15H,4,7-8,11-12H2,1H3,(H,20,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.13, 5 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-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24819574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).