1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H30N4O2 — CID 45236786

IUPAC1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)C2CCC(=O)N(CC3CCCCC3)C2)n[nH]1
InChIInChI=1S/C19H30N4O2/c1-14-10-17(21-20-14)13-22(2)19(25)16-8-9-18(24)23(12-16)11-15-6-4-3-5-7-15/h10,15-16H,3-9,11-13H2,1-2H3,(H,20,21)
InChIKeyBMZJHCIJPFKUDM-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.50
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45236786) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID45236786
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)C2CCC(=O)N(CC3CCCCC3)C2)n[nH]1
InChIInChI=1S/C19H30N4O2/c1-14-10-17(21-20-14)13-22(2)19(25)16-8-9-18(24)23(12-16)11-15-6-4-3-5-7-15/h10,15-16H,3-9,11-13H2,1-2H3,(H,20,21)
InChIKeyBMZJHCIJPFKUDM-UHFFFAOYSA-N
XLogP2.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 45236786) is 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cc(CN(C)C(=O)C2CCC(=O)N(CC3CCCCC3)C2)n[nH]1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is BMZJHCIJPFKUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-10-17(21-20-14)13-22(2)19(25)16-8-9-18(24)23(12-16)11-15-6-4-3-5-7-15/h10,15-16H,3-9,11-13H2,1-2H3,(H,20,21).
What are the key properties of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45236786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).