N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

C25H28N4O — CID 45253222

IUPACN-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)C3CCCN(Cc4cnc(C)nc4)C3)c2)c1
InChIInChI=1S/C25H28N4O/c1-18-6-3-7-21(12-18)22-8-4-10-24(13-22)28-25(30)23-9-5-11-29(17-23)16-20-14-26-19(2)27-15-20/h3-4,6-8,10,12-15,23H,5,9,11,16-17H2,1-2H3,(H,28,30)
InChIKeyLXEXWXCHFIMAMY-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.61
Rot. Bonds5

About N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 45253222) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
PubChem CID45253222
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)C3CCCN(Cc4cnc(C)nc4)C3)c2)c1
InChIInChI=1S/C25H28N4O/c1-18-6-3-7-21(12-18)22-8-4-10-24(13-22)28-25(30)23-9-5-11-29(17-23)16-20-14-26-19(2)27-15-20/h3-4,6-8,10,12-15,23H,5,9,11,16-17H2,1-2H3,(H,28,30)
InChIKeyLXEXWXCHFIMAMY-UHFFFAOYSA-N
XLogP4.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 25302072
N-(3,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919218
N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 24790225
(3S)-1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
CID 26409080
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923161
methyl 2-[[1-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carbonyl]amino]acetate
CID 134803746
N-(4-acetamidophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930027
N-(3,4-dichlorophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930051
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (CID 45253222) is N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is Cc1cccc(-c2cccc(NC(=O)C3CCCN(Cc4cnc(C)nc4)C3)c2)c1.
What is the InChIKey of N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is LXEXWXCHFIMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-6-3-7-21(12-18)22-8-4-10-24(13-22)28-25(30)23-9-5-11-29(17-23)16-20-14-26-19(2)27-15-20/h3-4,6-8,10,12-15,23H,5,9,11,16-17H2,1-2H3,(H,28,30).
What are the key properties of N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45253222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).