N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C25H27N3O — CID 25289485

IUPACN-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(NC(=O)C3CCN(Cc4ccncc4)CC3)cc2)c1
InChIInChI=1S/C25H27N3O/c1-19-3-2-4-23(17-19)21-5-7-24(8-6-21)27-25(29)22-11-15-28(16-12-22)18-20-9-13-26-14-10-20/h2-10,13-14,17,22H,11-12,15-16,18H2,1H3,(H,27,29)
InChIKeyBSOGQQXMOGUYNM-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.91
Rot. Bonds5

About N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide

N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 25289485) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID25289485
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(NC(=O)C3CCN(Cc4ccncc4)CC3)cc2)c1
InChIInChI=1S/C25H27N3O/c1-19-3-2-4-23(17-19)21-5-7-24(8-6-21)27-25(29)22-11-15-28(16-12-22)18-20-9-13-26-14-10-20/h2-10,13-14,17,22H,11-12,15-16,18H2,1H3,(H,27,29)
InChIKeyBSOGQQXMOGUYNM-UHFFFAOYSA-N
XLogP4.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26399704
1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26321068
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42192300
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42517113
methyl 4-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007013
N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide
CID 72919256
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 25289485) is N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide is Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4ccncc4)CC3)cc2)c1.
What is the InChIKey of N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BSOGQQXMOGUYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-19-3-2-4-23(17-19)21-5-7-24(8-6-21)27-25(29)22-11-15-28(16-12-22)18-20-9-13-26-14-10-20/h2-10,13-14,17,22H,11-12,15-16,18H2,1H3,(H,27,29).
What are the key properties of N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 25289485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).