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

C20H32N4O2 — CID 24790910

IUPAC1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CN(C)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H32N4O2/c1-14-18(15(2)22-21-14)13-23(3)20(26)17-9-10-19(25)24(12-17)11-16-7-5-4-6-8-16/h16-17H,4-13H2,1-3H3,(H,21,22)
InChIKeySRSFZYCNSYBVLF-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.80
Rot. Bonds5

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

1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 24790910) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID24790910
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CN(C)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H32N4O2/c1-14-18(15(2)22-21-14)13-23(3)20(26)17-9-10-19(25)24(12-17)11-16-7-5-4-6-8-16/h16-17H,4-13H2,1-3H3,(H,21,22)
InChIKeySRSFZYCNSYBVLF-UHFFFAOYSA-N
XLogP2.80
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 24790910) is 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is Cc1n[nH]c(C)c1CN(C)C(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is SRSFZYCNSYBVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-14-18(15(2)22-21-14)13-23(3)20(26)17-9-10-19(25)24(12-17)11-16-7-5-4-6-8-16/h16-17H,4-13H2,1-3H3,(H,21,22).
What are the key properties of 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).