(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid

C16H21NO3 — CID 15080754

IUPAC(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C16H21NO3/c18-15(11-6-9-13-7-2-1-3-8-13)17-12-5-4-10-14(17)16(19)20/h1-3,7-8,14H,4-6,9-12H2,(H,19,20)/t14-/m0/s1
InChIKeyPJLWEWJUNPUETF-AWEZNQCLSA-N
MW275.35 g/mol
LogP2.47
Rot. Bonds5

About (2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid

(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid (PubChem CID 15080754) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
PubChem CID15080754
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C16H21NO3/c18-15(11-6-9-13-7-2-1-3-8-13)17-12-5-4-10-14(17)16(19)20/h1-3,7-8,14H,4-6,9-12H2,(H,19,20)/t14-/m0/s1
InChIKeyPJLWEWJUNPUETF-AWEZNQCLSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-[2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 15080758
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
CID 119176003
1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid
CID 119176089
(2S)-1-[3-(2-phenylethyldisulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54508077
(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid
CID 22958470
(2S)-1-(4-benzylselanylbutanoyl)pyrrolidine-2-carboxylic acid
CID 22809670
methyl (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 14013749
1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
(2S)-1-[3-(3-bromophenyl)propanoyl]piperidine-2-carboxylic acid
CID 66262981
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid (CID 15080754) is (2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)CCCc1ccccc1.
What is the InChIKey of (2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid?
The InChIKey is PJLWEWJUNPUETF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(11-6-9-13-7-2-1-3-8-13)17-12-5-4-10-14(17)16(19)20/h1-3,7-8,14H,4-6,9-12H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid?
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 15080754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).