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

C18H23NO3 — CID 50742353

IUPAC3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(C2CCCN(C(=O)C3CCCC3)C2)c1
InChIInChI=1S/C18H23NO3/c20-17(13-5-1-2-6-13)19-10-4-9-16(12-19)14-7-3-8-15(11-14)18(21)22/h3,7-8,11,13,16H,1-2,4-6,9-10,12H2,(H,21,22)
InChIKeyQSTLBCVPGMWOKV-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.28
Rot. Bonds3

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

3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid (PubChem CID 50742353) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
PubChem CID50742353
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(C2CCCN(C(=O)C3CCCC3)C2)c1
InChIInChI=1S/C18H23NO3/c20-17(13-5-1-2-6-13)19-10-4-9-16(12-19)14-7-3-8-15(11-14)18(21)22/h3,7-8,11,13,16H,1-2,4-6,9-10,12H2,(H,21,22)
InChIKeyQSTLBCVPGMWOKV-UHFFFAOYSA-N
XLogP3.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(thiane-3-carbonyl)piperidin-3-yl]benzoic acid
CID 166317762
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 136553556
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzamide
CID 176576847
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579413
3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 72844387
3-[(3R)-1-[2-(cyclopropylmethylsulfanyl)acetyl]piperidin-3-yl]benzoic acid
CID 97190325
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176575682
3-[1-[2-(2-pyrrolidin-1-ylethylsulfanyl)acetyl]piperidin-3-yl]benzoic acid
CID 72878294
3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid
CID 97191593

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid (CID 50742353) is 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid is O=C(O)c1cccc(C2CCCN(C(=O)C3CCCC3)C2)c1.
What is the InChIKey of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid?
The InChIKey is QSTLBCVPGMWOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(13-5-1-2-6-13)19-10-4-9-16(12-19)14-7-3-8-15(11-14)18(21)22/h3,7-8,11,13,16H,1-2,4-6,9-10,12H2,(H,21,22).
What are the key properties of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid?
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid has a molecular weight of 301.39 g/mol, XLogP of 3.28, 3 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]benzoic acid is sourced from PubChem (CID 50742353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).