N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide

C23H30N4O — CID 650312

IUPACN-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H30N4O/c1-17-16-21(26-22(24-17)18-8-4-2-5-9-18)27-14-12-19(13-15-27)23(28)25-20-10-6-3-7-11-20/h2,4-5,8-9,16,19-20H,3,6-7,10-15H2,1H3,(H,25,28)
InChIKeyFFMCWHCERMVPAV-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.12
Rot. Bonds4

About N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide

N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 650312) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID650312
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H30N4O/c1-17-16-21(26-22(24-17)18-8-4-2-5-9-18)27-14-12-19(13-15-27)23(28)25-20-10-6-3-7-11-20/h2,4-5,8-9,16,19-20H,3,6-7,10-15H2,1H3,(H,25,28)
InChIKeyFFMCWHCERMVPAV-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 650312) is N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is FFMCWHCERMVPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-17-16-21(26-22(24-17)18-8-4-2-5-9-18)27-14-12-19(13-15-27)23(28)25-20-10-6-3-7-11-20/h2,4-5,8-9,16,19-20H,3,6-7,10-15H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 650312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).