2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid

C19H23NO3 — CID 3241340

IUPAC2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H23NO3/c21-18(16-8-4-5-9-17(16)19(22)23)20-12-10-15(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,10,16-17H,4-5,8-9,11-13H2,(H,22,23)
InChIKeyQWANGLOVFHFFIW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.19
Rot. Bonds3

About 2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid

2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 3241340) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID3241340
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H23NO3/c21-18(16-8-4-5-9-17(16)19(22)23)20-12-10-15(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,10,16-17H,4-5,8-9,11-13H2,(H,22,23)
InChIKeyQWANGLOVFHFFIW-UHFFFAOYSA-N
XLogP3.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 3241340) is 2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is QWANGLOVFHFFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-18(16-8-4-5-9-17(16)19(22)23)20-12-10-15(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,10,16-17H,4-5,8-9,11-13H2,(H,22,23).
What are the key properties of 2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3241340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).