3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid

C14H21NO3 — CID 106316277

IUPAC3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1=CCCN(C(=O)C2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H21NO3/c1-10-4-3-7-15(9-10)13(16)11-5-2-6-12(8-11)14(17)18/h4,11-12H,2-3,5-9H2,1H3,(H,17,18)
InChIKeyOAOCFQMXGBZTES-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.06
Rot. Bonds2

About 3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid

3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 106316277) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID106316277
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1=CCCN(C(=O)C2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H21NO3/c1-10-4-3-7-15(9-10)13(16)11-5-2-6-12(8-11)14(17)18/h4,11-12H,2-3,5-9H2,1H3,(H,17,18)
InChIKeyOAOCFQMXGBZTES-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.06
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

3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114172541
cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106313385
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone
CID 106314070
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
cis-(1R,3S)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 124606569
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
CID 106313552
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 106313965
3-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63782956
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid
CID 106315704
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782292

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 106316277) is 3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid is CC1=CCCN(C(=O)C2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is OAOCFQMXGBZTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-4-3-7-15(9-10)13(16)11-5-2-6-12(8-11)14(17)18/h4,11-12H,2-3,5-9H2,1H3,(H,17,18).
What are the key properties of 3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106316277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).