1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid

C16H21NO3 — CID 82065309

IUPAC1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid
SMILESCC(CC(=O)c1ccccc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21NO3/c1-12(11-15(18)13-5-3-2-4-6-13)17-9-7-14(8-10-17)16(19)20/h2-6,12,14H,7-11H2,1H3,(H,19,20)
InChIKeyYGPLNNOGNHGBBT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.44
Rot. Bonds5

About 1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid

1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid (PubChem CID 82065309) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid
PubChem CID82065309
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid
SMILESCC(CC(=O)c1ccccc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21NO3/c1-12(11-15(18)13-5-3-2-4-6-13)17-9-7-14(8-10-17)16(19)20/h2-6,12,14H,7-11H2,1H3,(H,19,20)
InChIKeyYGPLNNOGNHGBBT-UHFFFAOYSA-N
XLogP2.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dimethylphenyl)-4-oxobutan-2-yl]piperidine-4-carboxylic acid
CID 82065311
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid
CID 84751503
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
1-(3-oxo-3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 110465914
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
1-[1-(4-methylsulfanylphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751499
1-phenyl-3-pyrrolidin-1-yl-3-sulfanylpropan-1-one
CID 175347189
1-[1-(N-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906953

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid (CID 82065309) is 1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid is CC(CC(=O)c1ccccc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid?
The InChIKey is YGPLNNOGNHGBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(11-15(18)13-5-3-2-4-6-13)17-9-7-14(8-10-17)16(19)20/h2-6,12,14H,7-11H2,1H3,(H,19,20).
What are the key properties of 1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid?
1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82065309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).