N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C18H28N4O — CID 646431

IUPACN-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O/c1-14-8-11-19-18(20-14)22-12-9-15(10-13-22)17(23)21-16-6-4-2-3-5-7-16/h8,11,15-16H,2-7,9-10,12-13H2,1H3,(H,21,23)
InChIKeyJNGIRKBXQIQSAT-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.84
Rot. Bonds3

About N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 646431) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID646431
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O/c1-14-8-11-19-18(20-14)22-12-9-15(10-13-22)17(23)21-16-6-4-2-3-5-7-16/h8,11,15-16H,2-7,9-10,12-13H2,1H3,(H,21,23)
InChIKeyJNGIRKBXQIQSAT-UHFFFAOYSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
1-{[(4-Methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 667119
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809779
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809845

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 646431) is N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1.
What is the InChIKey of N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is JNGIRKBXQIQSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-8-11-19-18(20-14)22-12-9-15(10-13-22)17(23)21-16-6-4-2-3-5-7-16/h8,11,15-16H,2-7,9-10,12-13H2,1H3,(H,21,23).
What are the key properties of N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 646431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).