N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide

C19H25N3O2 — CID 108924958

IUPACN-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)C=C2CCCCC2)CC1)c1cccnc1
InChIInChI=1S/C19H25N3O2/c23-18(13-15-5-2-1-3-6-15)22-11-8-17(9-12-22)21-19(24)16-7-4-10-20-14-16/h4,7,10,13-14,17H,1-3,5-6,8-9,11-12H2,(H,21,24)
InChIKeyXIZVGJHXQGTDLR-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.69
Rot. Bonds3

About N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 108924958) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID108924958
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)C=C2CCCCC2)CC1)c1cccnc1
InChIInChI=1S/C19H25N3O2/c23-18(13-15-5-2-1-3-6-15)22-11-8-17(9-12-22)21-19(24)16-7-4-10-20-14-16/h4,7,10,13-14,17H,1-3,5-6,8-9,11-12H2,(H,21,24)
InChIKeyXIZVGJHXQGTDLR-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentylpyridine-3-carboxamide
CID 805532
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47076419
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
N-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796916
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 126460807
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide (CID 108924958) is N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(C(=O)C=C2CCCCC2)CC1)c1cccnc1.
What is the InChIKey of N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XIZVGJHXQGTDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(13-15-5-2-1-3-6-15)22-11-8-17(9-12-22)21-19(24)16-7-4-10-20-14-16/h4,7,10,13-14,17H,1-3,5-6,8-9,11-12H2,(H,21,24).
What are the key properties of N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 108924958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).