4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide

C25H25N3O3 — CID 86940300

IUPAC4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(Oc4ccncc4)c3)CC2)cc1
InChIInChI=1S/C25H25N3O3/c1-18-5-7-19(8-6-18)24(29)20-11-15-28(16-12-20)25(30)27-21-3-2-4-23(17-21)31-22-9-13-26-14-10-22/h2-10,13-14,17,20H,11-12,15-16H2,1H3,(H,27,30)
InChIKeyQZYIDCQCQDUQMD-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.31
Rot. Bonds5

About 4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide

4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide (PubChem CID 86940300) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide
PubChem CID86940300
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(Oc4ccncc4)c3)CC2)cc1
InChIInChI=1S/C25H25N3O3/c1-18-5-7-19(8-6-18)24(29)20-11-15-28(16-12-20)25(30)27-21-3-2-4-23(17-21)31-22-9-13-26-14-10-22/h2-10,13-14,17,20H,11-12,15-16H2,1H3,(H,27,30)
InChIKeyQZYIDCQCQDUQMD-UHFFFAOYSA-N
XLogP5.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 55874085
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122080073
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
N-(3-chlorophenyl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 17445680
tert-butyl N-[3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]carbamate
CID 60552319
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674496
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide (CID 86940300) is 4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide is Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(Oc4ccncc4)c3)CC2)cc1.
What is the InChIKey of 4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide?
The InChIKey is QZYIDCQCQDUQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-18-5-7-19(8-6-18)24(29)20-11-15-28(16-12-20)25(30)27-21-3-2-4-23(17-21)31-22-9-13-26-14-10-22/h2-10,13-14,17,20H,11-12,15-16H2,1H3,(H,27,30).
What are the key properties of 4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide?
4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 86940300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).