1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

C18H28N4O2 — CID 24794076

IUPAC1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1cccn1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C18H28N4O2/c23-17-8-7-16(14-21(17)13-15-5-2-1-3-6-15)18(24)19-10-12-22-11-4-9-20-22/h4,9,11,15-16H,1-3,5-8,10,12-14H2,(H,19,24)
InChIKeyDVNXWXAEPMDORY-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.82
Rot. Bonds6

About 1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 24794076) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
PubChem CID24794076
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1cccn1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C18H28N4O2/c23-17-8-7-16(14-21(17)13-15-5-2-1-3-6-15)18(24)19-10-12-22-11-4-9-20-22/h4,9,11,15-16H,1-3,5-8,10,12-14H2,(H,19,24)
InChIKeyDVNXWXAEPMDORY-UHFFFAOYSA-N
XLogP1.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (CID 24794076) is 1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is O=C(NCCn1cccn1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is DVNXWXAEPMDORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17-8-7-16(14-21(17)13-15-5-2-1-3-6-15)18(24)19-10-12-22-11-4-9-20-22/h4,9,11,15-16H,1-3,5-8,10,12-14H2,(H,19,24).
What are the key properties of 1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24794076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).