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

C20H32N4O2 — CID 24790909

IUPAC1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCN(CCc1cnn(C)c1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H32N4O2/c1-22(11-10-17-12-21-23(2)13-17)20(26)18-8-9-19(25)24(15-18)14-16-6-4-3-5-7-16/h12-13,16,18H,3-11,14-15H2,1-2H3
InChIKeyGBIHWJIBOYXPIJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.24
Rot. Bonds6

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

1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790909) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790909
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCN(CCc1cnn(C)c1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H32N4O2/c1-22(11-10-17-12-21-23(2)13-17)20(26)18-8-9-19(25)24(15-18)14-16-6-4-3-5-7-16/h12-13,16,18H,3-11,14-15H2,1-2H3
InChIKeyGBIHWJIBOYXPIJ-UHFFFAOYSA-N
XLogP2.24
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24790909) is 1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is CN(CCc1cnn(C)c1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GBIHWJIBOYXPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-22(11-10-17-12-21-23(2)13-17)20(26)18-8-9-19(25)24(15-18)14-16-6-4-3-5-7-16/h12-13,16,18H,3-11,14-15H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).