N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C18H28N4O — CID 51103793

IUPACN-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC1CCC(C)(NC(=O)C2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C18H28N4O/c1-14-4-8-18(2,9-5-14)21-16(23)15-6-12-22(13-7-15)17-19-10-3-11-20-17/h3,10-11,14-15H,4-9,12-13H2,1-2H3,(H,21,23)
InChIKeyQKXHXOVCYWNTOO-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.78
Rot. Bonds3

About N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 51103793) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID51103793
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC1CCC(C)(NC(=O)C2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C18H28N4O/c1-14-4-8-18(2,9-5-14)21-16(23)15-6-12-22(13-7-15)17-19-10-3-11-20-17/h3,10-11,14-15H,4-9,12-13H2,1-2H3,(H,21,23)
InChIKeyQKXHXOVCYWNTOO-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 51103793) is N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is CC1CCC(C)(NC(=O)C2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is QKXHXOVCYWNTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-4-8-18(2,9-5-14)21-16(23)15-6-12-22(13-7-15)17-19-10-3-11-20-17/h3,10-11,14-15H,4-9,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 51103793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).