1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide

C19H30N4O2 — CID 24790680

IUPAC1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H30N4O2/c1-22(10-9-16-11-20-21-12-16)19(25)17-7-8-18(24)23(14-17)13-15-5-3-2-4-6-15/h11-12,15,17H,2-10,13-14H2,1H3,(H,20,21)
InChIKeyHJZLWYKBOPUGLW-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.23
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 24790680) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID24790680
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H30N4O2/c1-22(10-9-16-11-20-21-12-16)19(25)17-7-8-18(24)23(14-17)13-15-5-3-2-4-6-15/h11-12,15,17H,2-10,13-14H2,1H3,(H,20,21)
InChIKeyHJZLWYKBOPUGLW-UHFFFAOYSA-N
XLogP2.23
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 24790680) is 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is CN(CCc1cn[nH]c1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is HJZLWYKBOPUGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22(10-9-16-11-20-21-12-16)19(25)17-7-8-18(24)23(14-17)13-15-5-3-2-4-6-15/h11-12,15,17H,2-10,13-14H2,1H3,(H,20,21).
What are the key properties of 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).