N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide

C20H34N4O — CID 166351619

IUPACN-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1cnn(CC2CCN(C(=O)NCC3CCCC(C)(C)C3)CC2)c1
InChIInChI=1S/C20H34N4O/c1-16-12-22-24(14-16)15-17-6-9-23(10-7-17)19(25)21-13-18-5-4-8-20(2,3)11-18/h12,14,17-18H,4-11,13,15H2,1-3H3,(H,21,25)
InChIKeyOAYFNCMVFNUEIW-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.83
Rot. Bonds4

About N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide

N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 166351619) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID166351619
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC NameN-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1cnn(CC2CCN(C(=O)NCC3CCCC(C)(C)C3)CC2)c1
InChIInChI=1S/C20H34N4O/c1-16-12-22-24(14-16)15-17-6-9-23(10-7-17)19(25)21-13-18-5-4-8-20(2,3)11-18/h12,14,17-18H,4-11,13,15H2,1-3H3,(H,21,25)
InChIKeyOAYFNCMVFNUEIW-UHFFFAOYSA-N
XLogP3.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide (CID 166351619) is N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide is Cc1cnn(CC2CCN(C(=O)NCC3CCCC(C)(C)C3)CC2)c1.
What is the InChIKey of N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is OAYFNCMVFNUEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-16-12-22-24(14-16)15-17-6-9-23(10-7-17)19(25)21-13-18-5-4-8-20(2,3)11-18/h12,14,17-18H,4-11,13,15H2,1-3H3,(H,21,25).
What are the key properties of N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166351619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).