N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

C22H30N6O — CID 47001194

IUPACN-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccccc3C)CC2)n1
InChIInChI=1S/C22H30N6O/c1-17-8-4-5-9-19(17)25-22(29)28-14-12-27(13-15-28)21-16-20(23-18(2)24-21)26-10-6-3-7-11-26/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3,(H,25,29)
InChIKeyUCACNQQIUOLENU-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.44
Rot. Bonds3

About N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 47001194) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID47001194
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC NameN-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccccc3C)CC2)n1
InChIInChI=1S/C22H30N6O/c1-17-8-4-5-9-19(17)25-22(29)28-14-12-27(13-15-28)21-16-20(23-18(2)24-21)26-10-6-3-7-11-26/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3,(H,25,29)
InChIKeyUCACNQQIUOLENU-UHFFFAOYSA-N
XLogP3.44
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 47001484
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
N-(3,4-dimethylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748089
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
N-(2,4-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919621
N-(3-chlorophenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001299
N-(2-chlorophenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 50947814
N-(2,5-dimethylphenyl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748010
N-(2-fluorophenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 56921706
1-(2-methylphenyl)-3-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122326346
N-(3,5-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50753236
N-(2-methoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 50944895

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 47001194) is N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccccc3C)CC2)n1.
What is the InChIKey of N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is UCACNQQIUOLENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-17-8-4-5-9-19(17)25-22(29)28-14-12-27(13-15-28)21-16-20(23-18(2)24-21)26-10-6-3-7-11-26/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3,(H,25,29).
What are the key properties of N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47001194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).