3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid

C15H25NO3 — CID 81046487

IUPAC3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-11(9-14(17)18)13-7-4-8-16(10-13)15(19)12-5-2-3-6-12/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyVGPSYVSSFOCQTM-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds4

About 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid

3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid (PubChem CID 81046487) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
PubChem CID81046487
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-11(9-14(17)18)13-7-4-8-16(10-13)15(19)12-5-2-3-6-12/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyVGPSYVSSFOCQTM-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81042258
3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid
CID 103870702
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
CID 104855870
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
CID 115867296
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid (CID 81046487) is 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid?
The InChIKey is VGPSYVSSFOCQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(9-14(17)18)13-7-4-8-16(10-13)15(19)12-5-2-3-6-12/h11-13H,2-10H2,1H3,(H,17,18).
What are the key properties of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid?
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).