1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid

C15H23NO2S — CID 3971131

IUPAC1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid
SMILESCCCCC(c1ccsc1)N1CCCCC1C(=O)O
InChIInChI=1S/C15H23NO2S/c1-2-3-6-13(12-8-10-19-11-12)16-9-5-4-7-14(16)15(17)18/h8,10-11,13-14H,2-7,9H2,1H3,(H,17,18)
InChIKeyADDQLXGDZDIRHD-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.92
Rot. Bonds6

About 1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid

1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid (PubChem CID 3971131) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid
PubChem CID3971131
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid
SMILESCCCCC(c1ccsc1)N1CCCCC1C(=O)O
InChIInChI=1S/C15H23NO2S/c1-2-3-6-13(12-8-10-19-11-12)16-9-5-4-7-14(16)15(17)18/h8,10-11,13-14H,2-7,9H2,1H3,(H,17,18)
InChIKeyADDQLXGDZDIRHD-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
CID 3680989
1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 4650051
1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 3510647
1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid
CID 4637920
1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid
CID 4588574
1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid
CID 3949304
1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid
CID 65053879
1-[(4-methoxyphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid
CID 3894359
1-[thiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3682736
1-[(5-chlorothiophen-2-yl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid
CID 5179677
1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3350089
1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3595945

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid (CID 3971131) is 1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid is CCCCC(c1ccsc1)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid?
The InChIKey is ADDQLXGDZDIRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-3-6-13(12-8-10-19-11-12)16-9-5-4-7-14(16)15(17)18/h8,10-11,13-14H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid?
1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid has a molecular weight of 281.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 3971131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).