2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid

C15H25NO3 — CID 62691115

IUPAC2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)C2CCCCCC2)C1
InChIInChI=1S/C15H25NO3/c17-14(18)10-12-6-5-9-16(11-12)15(19)13-7-3-1-2-4-8-13/h12-13H,1-11H2,(H,17,18)
InChIKeyVKDVYACIHSJIII-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds3

About 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid

2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid (PubChem CID 62691115) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
PubChem CID62691115
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)C2CCCCCC2)C1
InChIInChI=1S/C15H25NO3/c17-14(18)10-12-6-5-9-16(11-12)15(19)13-7-3-1-2-4-8-13/h12-13H,1-11H2,(H,17,18)
InChIKeyVKDVYACIHSJIII-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
CID 62759578
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid (CID 62691115) is 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)C2CCCCCC2)C1.
What is the InChIKey of 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid?
The InChIKey is VKDVYACIHSJIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(18)10-12-6-5-9-16(11-12)15(19)13-7-3-1-2-4-8-13/h12-13H,1-11H2,(H,17,18).
What are the key properties of 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid?
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62691115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).