N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide

C18H32N2O2 — CID 60550291

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-3-14(4-2)18(22)20-12-10-16(11-13-20)19-17(21)15-8-6-5-7-9-15/h14-16H,3-13H2,1-2H3,(H,19,21)
InChIKeyQZBHAKPIHRVGNP-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.11
Rot. Bonds5

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 60550291) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID60550291
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-3-14(4-2)18(22)20-12-10-16(11-13-20)19-17(21)15-8-6-5-7-9-15/h14-16H,3-13H2,1-2H3,(H,19,21)
InChIKeyQZBHAKPIHRVGNP-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
N-cyclohexyl-4-(2-ethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 110811406
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820091
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536839
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110822231
2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113003024
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988
3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide
CID 55950906
4-(cyclohexanecarbonylamino)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 86862881
1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820103

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide (CID 60550291) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide is CCC(CC)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is QZBHAKPIHRVGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-14(4-2)18(22)20-12-10-16(11-13-20)19-17(21)15-8-6-5-7-9-15/h14-16H,3-13H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 308.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 60550291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).