1-(2-phenylpentanoyl)piperidine-4-carboxylic acid

C17H23NO3 — CID 75416877

IUPAC1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
SMILESCCCC(C(=O)N1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-2-6-15(13-7-4-3-5-8-13)16(19)18-11-9-14(10-12-18)17(20)21/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,20,21)
InChIKeyUDJVPSWUKUNCBY-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.89
Rot. Bonds5

About 1-(2-phenylpentanoyl)piperidine-4-carboxylic acid

1-(2-phenylpentanoyl)piperidine-4-carboxylic acid (PubChem CID 75416877) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2-phenylpentanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
PubChem CID75416877
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
SMILESCCCC(C(=O)N1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-2-6-15(13-7-4-3-5-8-13)16(19)18-11-9-14(10-12-18)17(20)21/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,20,21)
InChIKeyUDJVPSWUKUNCBY-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one
CID 55584335
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
4-(2-phenylpentanoyl)piperazine-1-sulfonamide
CID 56786878
1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 55334269
1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
CID 119349525

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpentanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-phenylpentanoyl)piperidine-4-carboxylic acid (CID 75416877) is 1-(2-phenylpentanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-phenylpentanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-phenylpentanoyl)piperidine-4-carboxylic acid is CCCC(C(=O)N1CCC(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-(2-phenylpentanoyl)piperidine-4-carboxylic acid?
The InChIKey is UDJVPSWUKUNCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-6-15(13-7-4-3-5-8-13)16(19)18-11-9-14(10-12-18)17(20)21/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,20,21).
What are the key properties of 1-(2-phenylpentanoyl)piperidine-4-carboxylic acid?
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpentanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 75416877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).