N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide

C24H26N4O — CID 53107339

IUPACN-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(c2ncc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C24H26N4O/c1-18-7-5-6-10-21(18)15-25-23(29)20-11-13-28(14-12-20)24-26-16-22(17-27-24)19-8-3-2-4-9-19/h2-10,16-17,20H,11-15H2,1H3,(H,25,29)
InChIKeyGNSVHLDABUUSTJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.98
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide

N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53107339) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53107339
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(c2ncc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C24H26N4O/c1-18-7-5-6-10-21(18)15-25-23(29)20-11-13-28(14-12-20)24-26-16-22(17-27-24)19-8-3-2-4-9-19/h2-10,16-17,20H,11-15H2,1H3,(H,25,29)
InChIKeyGNSVHLDABUUSTJ-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107315
1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53107338
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 53202097
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
N-[(2-methylphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 46281686
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46364357
N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53010355
1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide
CID 53107235

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53107339) is N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccccc1CNC(=O)C1CCN(c2ncc(-c3ccccc3)cn2)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is GNSVHLDABUUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-7-5-6-10-21(18)15-25-23(29)20-11-13-28(14-12-20)24-26-16-22(17-27-24)19-8-3-2-4-9-19/h2-10,16-17,20H,11-15H2,1H3,(H,25,29).
What are the key properties of N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53107339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).