4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid

C20H22N2O3 — CID 120613659

IUPAC4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
SMILESO=C(CCc1ccccn1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-18(10-9-17-8-4-5-13-21-17)22-14-11-20(12-15-22,19(24)25)16-6-2-1-3-7-16/h1-8,13H,9-12,14-15H2,(H,24,25)
InChIKeyXHCWZNTYQFADBX-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.66
Rot. Bonds5

About 4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid

4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid (PubChem CID 120613659) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
PubChem CID120613659
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
SMILESO=C(CCc1ccccn1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-18(10-9-17-8-4-5-13-21-17)22-14-11-20(12-15-22,19(24)25)16-6-2-1-3-7-16/h1-8,13H,9-12,14-15H2,(H,24,25)
InChIKeyXHCWZNTYQFADBX-UHFFFAOYSA-N
XLogP2.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 84588728
(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 126445524
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 70723407
3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 23600523
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
1-[3-(1,3-benzoxazol-2-yl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168309
2-acetyl-8-(3-pyridin-2-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72909955
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 171712344

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid (CID 120613659) is 4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid is O=C(CCc1ccccn1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid?
The InChIKey is XHCWZNTYQFADBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-18(10-9-17-8-4-5-13-21-17)22-14-11-20(12-15-22,19(24)25)16-6-2-1-3-7-16/h1-8,13H,9-12,14-15H2,(H,24,25).
What are the key properties of 4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid?
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 120613659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).