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

C21H31N3O2 — CID 47076419

IUPACN-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)CCCC2CCCCC2)CC1)c1cccnc1
InChIInChI=1S/C21H31N3O2/c25-20(10-4-8-17-6-2-1-3-7-17)24-14-11-19(12-15-24)23-21(26)18-9-5-13-22-16-18/h5,9,13,16-17,19H,1-4,6-8,10-12,14-15H2,(H,23,26)
InChIKeyLMPOPIBCZJDDOE-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.55
Rot. Bonds6

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

N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47076419) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47076419
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)CCCC2CCCCC2)CC1)c1cccnc1
InChIInChI=1S/C21H31N3O2/c25-20(10-4-8-17-6-2-1-3-7-17)24-14-11-19(12-15-24)23-21(26)18-9-5-13-22-16-18/h5,9,13,16-17,19H,1-4,6-8,10-12,14-15H2,(H,23,26)
InChIKeyLMPOPIBCZJDDOE-UHFFFAOYSA-N
XLogP3.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 60591003
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548470
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110822080
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide
CID 108549480
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622
N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 108924958
N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 56566905
N-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924893

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide (CID 47076419) is N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(C(=O)CCCC2CCCCC2)CC1)c1cccnc1.
What is the InChIKey of N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is LMPOPIBCZJDDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(10-4-8-17-6-2-1-3-7-17)24-14-11-19(12-15-24)23-21(26)18-9-5-13-22-16-18/h5,9,13,16-17,19H,1-4,6-8,10-12,14-15H2,(H,23,26).
What are the key properties of N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47076419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).