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

C22H29N5O — CID 108782198

IUPACN-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nc(-c2ccccc2)cc(N2CCN(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C22H29N5O/c1-17-23-20(18-8-4-2-5-9-18)16-21(24-17)26-12-14-27(15-13-26)22(28)25-19-10-6-3-7-11-19/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,25,28)
InChIKeyLOOJUEFYXDMXIR-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.62
Rot. Bonds3

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

N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 108782198) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID108782198
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nc(-c2ccccc2)cc(N2CCN(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C22H29N5O/c1-17-23-20(18-8-4-2-5-9-18)16-21(24-17)26-12-14-27(15-13-26)22(28)25-19-10-6-3-7-11-19/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,25,28)
InChIKeyLOOJUEFYXDMXIR-UHFFFAOYSA-N
XLogP3.62
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108736910
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 44758914
N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372608
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
1-[4-[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871211
N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876870
(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759809
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759795
1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 108736956
[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108736867

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide (CID 108782198) is N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1nc(-c2ccccc2)cc(N2CCN(C(=O)NC3CCCCC3)CC2)n1.
What is the InChIKey of N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is LOOJUEFYXDMXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-23-20(18-8-4-2-5-9-18)16-21(24-17)26-12-14-27(15-13-26)22(28)25-19-10-6-3-7-11-19/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108782198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).