N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide

C18H32N2O2 — CID 110822231

IUPACN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)(C)CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-18(2,3)13-16(21)20-11-9-15(10-12-20)19-17(22)14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3,(H,19,22)
InChIKeyZOFOJNOQGFBQNX-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.11
Rot. Bonds3

About N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 110822231) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID110822231
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)(C)CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-18(2,3)13-16(21)20-11-9-15(10-12-20)19-17(22)14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3,(H,19,22)
InChIKeyZOFOJNOQGFBQNX-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide
CID 108922380
N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 112730369
4-(cyclopropanecarbonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822547
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60597292
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
4-(cyclohexanecarbonylamino)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 86862881
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide (CID 110822231) is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide is CC(C)(C)CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is ZOFOJNOQGFBQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-18(2,3)13-16(21)20-11-9-15(10-12-20)19-17(22)14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 308.47 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 110822231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).