1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide

C22H40N2O2 — CID 33295250

IUPAC1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H40N2O2/c1-7-22(5,6)17-8-10-18(11-9-17)23-19(25)16-12-14-24(15-13-16)20(26)21(2,3)4/h16-18H,7-15H2,1-6H3,(H,23,25)
InChIKeyVDDVERDMKBKNLY-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.38
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 33295250) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
PubChem CID33295250
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H40N2O2/c1-7-22(5,6)17-8-10-18(11-9-17)23-19(25)16-12-14-24(15-13-16)20(26)21(2,3)4/h16-18H,7-15H2,1-6H3,(H,23,25)
InChIKeyVDDVERDMKBKNLY-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide (CID 33295250) is 1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide is CCC(C)(C)C1CCC(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is VDDVERDMKBKNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-7-22(5,6)17-8-10-18(11-9-17)23-19(25)16-12-14-24(15-13-16)20(26)21(2,3)4/h16-18H,7-15H2,1-6H3,(H,23,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 364.57 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 33295250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).