1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide

C21H34N4O2 — CID 24818911

IUPAC1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H34N4O2/c1-15-19(16(2)23-22-15)11-12-24(3)21(27)18-9-10-20(26)25(14-18)13-17-7-5-4-6-8-17/h17-18H,4-14H2,1-3H3,(H,22,23)
InChIKeySRBLSEGUJMPYMD-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.85
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 24818911) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID24818911
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H34N4O2/c1-15-19(16(2)23-22-15)11-12-24(3)21(27)18-9-10-20(26)25(14-18)13-17-7-5-4-6-8-17/h17-18H,4-14H2,1-3H3,(H,22,23)
InChIKeySRBLSEGUJMPYMD-UHFFFAOYSA-N
XLogP2.85
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 24818911) is 1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide is Cc1n[nH]c(C)c1CCN(C)C(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is SRBLSEGUJMPYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-15-19(16(2)23-22-15)11-12-24(3)21(27)18-9-10-20(26)25(14-18)13-17-7-5-4-6-8-17/h17-18H,4-14H2,1-3H3,(H,22,23).
What are the key properties of 1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24818911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).