2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid

C14H21NO3 — CID 54899519

IUPAC2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)C1CC=CCC1
InChIInChI=1S/C14H21NO3/c16-13(17)10-12-8-4-5-9-15(12)14(18)11-6-2-1-3-7-11/h1-2,11-12H,3-10H2,(H,16,17)
InChIKeyCVUAPLMQZZFCLZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.20
Rot. Bonds3

About 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid

2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 54899519) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid
PubChem CID54899519
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)C1CC=CCC1
InChIInChI=1S/C14H21NO3/c16-13(17)10-12-8-4-5-9-15(12)14(18)11-6-2-1-3-7-11/h1-2,11-12H,3-10H2,(H,16,17)
InChIKeyCVUAPLMQZZFCLZ-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.20
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

methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate
CID 54899857
[(2S)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(1S)-cyclohex-3-en-1-yl]methanone
CID 129357274
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40579125
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 90585699
2-[1-(5-oxopyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 83192498
2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
CID 66010040
2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 61010810
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
2-[8-(cyclohex-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615500
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid (CID 54899519) is 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)C1CC=CCC1.
What is the InChIKey of 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is CVUAPLMQZZFCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-13(17)10-12-8-4-5-9-15(12)14(18)11-6-2-1-3-7-11/h1-2,11-12H,3-10H2,(H,16,17).
What are the key properties of 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).