1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide

C23H22N2O3 — CID 42924930

IUPAC1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2cc3ccccc3cc2O)C1
InChIInChI=1S/C23H22N2O3/c26-21-14-17-8-5-4-7-16(17)13-20(21)23(28)25-12-6-9-18(15-25)22(27)24-19-10-2-1-3-11-19/h1-5,7-8,10-11,13-14,18,26H,6,9,12,15H2,(H,24,27)
InChIKeyRAYBBDCONAOBQI-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.04
Rot. Bonds3

About 1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide

1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 42924930) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide
PubChem CID42924930
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2cc3ccccc3cc2O)C1
InChIInChI=1S/C23H22N2O3/c26-21-14-17-8-5-4-7-16(17)13-20(21)23(28)25-12-6-9-18(15-25)22(27)24-19-10-2-1-3-11-19/h1-5,7-8,10-11,13-14,18,26H,6,9,12,15H2,(H,24,27)
InChIKeyRAYBBDCONAOBQI-UHFFFAOYSA-N
XLogP4.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide (CID 42924930) is 1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)c2cc3ccccc3cc2O)C1.
What is the InChIKey of 1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is RAYBBDCONAOBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-21-14-17-8-5-4-7-16(17)13-20(21)23(28)25-12-6-9-18(15-25)22(27)24-19-10-2-1-3-11-19/h1-5,7-8,10-11,13-14,18,26H,6,9,12,15H2,(H,24,27).
What are the key properties of 1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxynaphthalene-2-carbonyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42924930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).