4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide

C27H29N3O3 — CID 86960523

IUPAC4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
SMILESCc1ccc(CC(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c2ccccn2)cc1
InChIInChI=1S/C27H29N3O3/c1-19-5-7-20(8-6-19)18-25(24-4-2-3-15-28-24)29-27(33)30-16-13-22(14-17-30)26(32)21-9-11-23(31)12-10-21/h2-12,15,22,25,31H,13-14,16-18H2,1H3,(H,29,33)
InChIKeyVQMGSPAHAXRGFR-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.68
Rot. Bonds6

About 4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide

4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide (PubChem CID 86960523) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
PubChem CID86960523
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
SMILESCc1ccc(CC(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c2ccccn2)cc1
InChIInChI=1S/C27H29N3O3/c1-19-5-7-20(8-6-19)18-25(24-4-2-3-15-28-24)29-27(33)30-16-13-22(14-17-30)26(32)21-9-11-23(31)12-10-21/h2-12,15,22,25,31H,13-14,16-18H2,1H3,(H,29,33)
InChIKeyVQMGSPAHAXRGFR-UHFFFAOYSA-N
XLogP4.68
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[[2-(4-methylphenyl)-1-pyridin-2-ylethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122002520
4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 86927572
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 56791178
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
CID 166187725
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
4-(4-hydroxybenzoyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 86999128
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
CID 86956430
4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid
CID 154740314

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide (CID 86960523) is 4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide is Cc1ccc(CC(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c2ccccn2)cc1.
What is the InChIKey of 4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide?
The InChIKey is VQMGSPAHAXRGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-5-7-20(8-6-19)18-25(24-4-2-3-15-28-24)29-27(33)30-16-13-22(14-17-30)26(32)21-9-11-23(31)12-10-21/h2-12,15,22,25,31H,13-14,16-18H2,1H3,(H,29,33).
What are the key properties of 4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide?
4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 86960523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).