N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide

C26H33N3O2 — CID 46390267

IUPACN-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C26H33N3O2/c1-19-9-6-7-12-22(19)24-23(13-8-16-27-24)26(31)29-17-14-20(15-18-29)25(30)28-21-10-4-2-3-5-11-21/h6-9,12-13,16,20-21H,2-5,10-11,14-15,17-18H2,1H3,(H,28,30)
InChIKeyKKIHDXLKIRCKCG-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.75
Rot. Bonds4

About N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide

N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 46390267) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
PubChem CID46390267
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C26H33N3O2/c1-19-9-6-7-12-22(19)24-23(13-8-16-27-24)26(31)29-17-14-20(15-18-29)25(30)28-21-10-4-2-3-5-11-21/h6-9,12-13,16,20-21H,2-5,10-11,14-15,17-18H2,1H3,(H,28,30)
InChIKeyKKIHDXLKIRCKCG-UHFFFAOYSA-N
XLogP4.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 50832528
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
N-cyclohexyl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18108639
[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 50832568
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363619
N-[1-(2-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820511

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide (CID 46390267) is N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide is Cc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is KKIHDXLKIRCKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-9-6-7-12-22(19)24-23(13-8-16-27-24)26(31)29-17-14-20(15-18-29)25(30)28-21-10-4-2-3-5-11-21/h6-9,12-13,16,20-21H,2-5,10-11,14-15,17-18H2,1H3,(H,28,30).
What are the key properties of N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide?
N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 46390267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).