4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

C13H18ClNO3 — CID 2938117

IUPAC4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=C(Cl)CC1C(=O)N1CCCCC1
InChIInChI=1S/C13H18ClNO3/c14-9-4-5-10(13(17)18)11(8-9)12(16)15-6-2-1-3-7-15/h4,10-11H,1-3,5-8H2,(H,17,18)
InChIKeyDOHORGCNGSIKDC-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.23
Rot. Bonds2

About 4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 2938117) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID2938117
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=C(Cl)CC1C(=O)N1CCCCC1
InChIInChI=1S/C13H18ClNO3/c14-9-4-5-10(13(17)18)11(8-9)12(16)15-6-2-1-3-7-15/h4,10-11H,1-3,5-8H2,(H,17,18)
InChIKeyDOHORGCNGSIKDC-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 2938117) is 4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=C(Cl)CC1C(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is DOHORGCNGSIKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c14-9-4-5-10(13(17)18)11(8-9)12(16)15-6-2-1-3-7-15/h4,10-11H,1-3,5-8H2,(H,17,18).
What are the key properties of 4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 271.74 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 2938117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).