2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid

C15H25NO3 — CID 79614731

IUPAC2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C15H25NO3/c17-14(18)11-12-7-9-16(10-8-12)15(19)13-5-3-1-2-4-6-13/h12-13H,1-11H2,(H,17,18)
InChIKeySOCKGCWUXCBXPV-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds3

About 2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid

2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid (PubChem CID 79614731) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
PubChem CID79614731
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C15H25NO3/c17-14(18)11-12-7-9-16(10-8-12)15(19)13-5-3-1-2-4-6-13/h12-13H,1-11H2,(H,17,18)
InChIKeySOCKGCWUXCBXPV-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

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Related Compounds

1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid
CID 119178723
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 138029014
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 79615083
1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde
CID 18352871

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid (CID 79614731) is 2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2CCCCCC2)CC1.
What is the InChIKey of 2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid?
The InChIKey is SOCKGCWUXCBXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(18)11-12-7-9-16(10-8-12)15(19)13-5-3-1-2-4-6-13/h12-13H,1-11H2,(H,17,18).
What are the key properties of 2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid?
2-[1-(cycloheptanecarbonyl)piperidin-4-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-4-yl]acetic acid is sourced from PubChem (CID 79614731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).