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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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).