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

C14H22N2O3 — CID 106315704

IUPAC4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC1=CCCN(C(=O)N2CCC(C)CC2C(=O)O)C1
InChIInChI=1S/C14H22N2O3/c1-10-5-7-16(12(8-10)13(17)18)14(19)15-6-3-4-11(2)9-15/h4,10,12H,3,5-9H2,1-2H3,(H,17,18)
InChIKeyQRCNTTJULATJQB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.94
Rot. Bonds1

About 4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid

4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 106315704) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID106315704
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC1=CCCN(C(=O)N2CCC(C)CC2C(=O)O)C1
InChIInChI=1S/C14H22N2O3/c1-10-5-7-16(12(8-10)13(17)18)14(19)15-6-3-4-11(2)9-15/h4,10,12H,3,5-9H2,1-2H3,(H,17,18)
InChIKeyQRCNTTJULATJQB-UHFFFAOYSA-N
XLogP1.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.94
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

(2R,4R)-4-hydroxy-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 106316043
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425581
1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425542
4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidine-2-carboxylic acid
CID 114425695
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244
3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106316277
cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106313385
4-methyl-1-(2,4,6-trimethylbenzoyl)piperidine-2-carboxylic acid
CID 114421816
3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114172541
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
CID 106313552
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid (CID 106315704) is 4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid is CC1=CCCN(C(=O)N2CCC(C)CC2C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is QRCNTTJULATJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-5-7-16(12(8-10)13(17)18)14(19)15-6-3-4-11(2)9-15/h4,10,12H,3,5-9H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid?
4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 106315704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).