5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C15H17NO3 — CID 70414647

IUPAC5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(CCc1ccccc1)C1=CCCN(C(=O)O)C1
InChIInChI=1S/C15H17NO3/c17-14(9-8-12-5-2-1-3-6-12)13-7-4-10-16(11-13)15(18)19/h1-3,5-7H,4,8-11H2,(H,18,19)
InChIKeyZLPKBTIFTSDFIU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.50
Rot. Bonds4

About 5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 70414647) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID70414647
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(CCc1ccccc1)C1=CCCN(C(=O)O)C1
InChIInChI=1S/C15H17NO3/c17-14(9-8-12-5-2-1-3-6-12)13-7-4-10-16(11-13)15(18)19/h1-3,5-7H,4,8-11H2,(H,18,19)
InChIKeyZLPKBTIFTSDFIU-UHFFFAOYSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one
CID 14330045
lanthanum;3-phenylpropanoic acid
CID 174887955
5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 161310018
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-3-phenylpropanoic acid
CID 106315741
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236
(NE)-N-[3-phenyl-1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine;hydrochloride
CID 14330056
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 70414647) is 5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(CCc1ccccc1)C1=CCCN(C(=O)O)C1.
What is the InChIKey of 5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is ZLPKBTIFTSDFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(9-8-12-5-2-1-3-6-12)13-7-4-10-16(11-13)15(18)19/h1-3,5-7H,4,8-11H2,(H,18,19).
What are the key properties of 5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 70414647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).