1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid

C22H26N2O4 — CID 120512917

IUPAC1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C22H26N2O4/c1-15(2)12-18-13-16(14-19(25)23-18)20(26)24-10-8-22(9-11-24,21(27)28)17-6-4-3-5-7-17/h3-7,13-15H,8-12H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyODNRDBGZHONGHE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.83
Rot. Bonds5

About 1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid

1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 120512917) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID120512917
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C22H26N2O4/c1-15(2)12-18-13-16(14-19(25)23-18)20(26)24-10-8-22(9-11-24,21(27)28)17-6-4-3-5-7-17/h3-7,13-15H,8-12H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyODNRDBGZHONGHE-UHFFFAOYSA-N
XLogP2.83
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-1-(prop-2-enoyl)piperidine-4-carboxylic acid
CID 54982792
4-Phenyl-1-propanoylpiperidine-4-carboxylic acid
CID 22240578
1-[(E)-but-2-enoyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240705
1-(Cyclopropylcarbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433621
1-But-2-ynoyl-4-phenylpiperidine-4-carboxylic acid
CID 107986588
4-(4-Methylphenyl)-1-(prop-2-enoyl)piperidine-4-carboxylic acid
CID 146081171
1-[(Z)-but-2-enoyl]-4-phenylpiperidine-4-carboxylic acid
CID 168274544
1-Acetyl-4-phenylpiperidine-4-carboxylic acid
CID 4780578
1-(Cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433242
(3R,4S)-4-(2-methylphenyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 164636577
(3S,4R)-3-Methyl-4-phenylpiperidine-4-carboxylic acid
CID 102058292
rel-(3R,6S)-2-(3,6-Bis(benzamido)cyclohex-1-en-1-yl)-2-methylpropanoic acid
CID 135034826

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid (CID 120512917) is 1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid is CC(C)Cc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc(=O)[nH]1.
What is the InChIKey of 1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is ODNRDBGZHONGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(2)12-18-13-16(14-19(25)23-18)20(26)24-10-8-22(9-11-24,21(27)28)17-6-4-3-5-7-17/h3-7,13-15H,8-12H2,1-2H3,(H,23,25)(H,27,28).
What are the key properties of 1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid?
1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 120512917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).