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

C22H33N3O2 — CID 60591003

IUPACN-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCCCCC1CCC(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-2-3-5-17-7-9-18(10-8-17)22(27)25-14-11-20(12-15-25)24-21(26)19-6-4-13-23-16-19/h4,6,13,16-18,20H,2-3,5,7-12,14-15H2,1H3,(H,24,26)
InChIKeyRQACXQZOQLKIMQ-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.80
Rot. Bonds6

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

N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 60591003) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID60591003
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCCCCC1CCC(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-2-3-5-17-7-9-18(10-8-17)22(27)25-14-11-20(12-15-25)24-21(26)19-6-4-13-23-16-19/h4,6,13,16-18,20H,2-3,5,7-12,14-15H2,1H3,(H,24,26)
InChIKeyRQACXQZOQLKIMQ-UHFFFAOYSA-N
XLogP3.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47076419
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796916
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692324
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 56892222
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60597292
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 60591003) is N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide is CCCCC1CCC(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)CC1.
What is the InChIKey of N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is RQACXQZOQLKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-3-5-17-7-9-18(10-8-17)22(27)25-14-11-20(12-15-25)24-21(26)19-6-4-13-23-16-19/h4,6,13,16-18,20H,2-3,5,7-12,14-15H2,1H3,(H,24,26).
What are the key properties of N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 60591003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).