1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

C19H26N2O3 — CID 56916085

IUPAC1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(CC3CC=CCC3)CC2)cn1
InChIInChI=1S/C19H26N2O3/c1-15-7-8-17(13-20-15)24-19(18(22)23)9-11-21(12-10-19)14-16-5-3-2-4-6-16/h2-3,7-8,13,16H,4-6,9-12,14H2,1H3,(H,22,23)
InChIKeyXCILDUMLVAHGQF-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.04
Rot. Bonds5

About 1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (PubChem CID 56916085) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
PubChem CID56916085
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(CC3CC=CCC3)CC2)cn1
InChIInChI=1S/C19H26N2O3/c1-15-7-8-17(13-20-15)24-19(18(22)23)9-11-21(12-10-19)14-16-5-3-2-4-6-16/h2-3,7-8,13,16H,4-6,9-12,14H2,1H3,(H,22,23)
InChIKeyXCILDUMLVAHGQF-UHFFFAOYSA-N
XLogP3.04
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (CID 56916085) is 1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is Cc1ccc(OC2(C(=O)O)CCN(CC3CC=CCC3)CC2)cn1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The InChIKey is XCILDUMLVAHGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-15-7-8-17(13-20-15)24-19(18(22)23)9-11-21(12-10-19)14-16-5-3-2-4-6-16/h2-3,7-8,13,16H,4-6,9-12,14H2,1H3,(H,22,23).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is sourced from PubChem (CID 56916085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).