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

C15H23NO3 — CID 138029014

IUPAC2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid
SMILESC=C1CCC(C(=O)N2CCC(CC(=O)O)CC2)CC1
InChIInChI=1S/C15H23NO3/c1-11-2-4-13(5-3-11)15(19)16-8-6-12(7-9-16)10-14(17)18/h12-13H,1-10H2,(H,17,18)
InChIKeyHKMWODDJYOIRGA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.45
Rot. Bonds3

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

2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid (PubChem CID 138029014) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid
PubChem CID138029014
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid
SMILESC=C1CCC(C(=O)N2CCC(CC(=O)O)CC2)CC1
InChIInChI=1S/C15H23NO3/c1-11-2-4-13(5-3-11)15(19)16-8-6-12(7-9-16)10-14(17)18/h12-13H,1-10H2,(H,17,18)
InChIKeyHKMWODDJYOIRGA-UHFFFAOYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

aziridin-1-yl-(4-methylidenecyclohexyl)methanone
CID 91507558
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
(4-methylidenecyclohexyl)-piperidin-1-ylmethanone
CID 90711558
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
2-(3-methylidenecyclopentyl)acetic acid
CID 55303837
1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone
CID 90697781
2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid
CID 119178723
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192169
2-(1-prop-2-ynoylpiperidin-4-yl)acetic acid
CID 79615662
2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615306

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid (CID 138029014) is 2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid is C=C1CCC(C(=O)N2CCC(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The InChIKey is HKMWODDJYOIRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-2-4-13(5-3-11)15(19)16-8-6-12(7-9-16)10-14(17)18/h12-13H,1-10H2,(H,17,18).
What are the key properties of 2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid?
2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 138029014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).