4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide

C18H21N3O2 — CID 1446433

IUPAC4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c1-14-4-6-16(7-5-14)20-17(22)21-11-8-18(23,9-12-21)15-3-2-10-19-13-15/h2-7,10,13,23H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyLDWZXHCHGARSGU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.91
Rot. Bonds2

About 4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide

4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 1446433) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID1446433
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c1-14-4-6-16(7-5-14)20-17(22)21-11-8-18(23,9-12-21)15-3-2-10-19-13-15/h2-7,10,13,23H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyLDWZXHCHGARSGU-UHFFFAOYSA-N
XLogP2.91
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide (CID 1446433) is 4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)cc1.
What is the InChIKey of 4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is LDWZXHCHGARSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-4-6-16(7-5-14)20-17(22)21-11-8-18(23,9-12-21)15-3-2-10-19-13-15/h2-7,10,13,23H,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of 4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide?
4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methylphenyl)-4-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 1446433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).