1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid

C13H15ClN2O3 — CID 63134102

IUPAC1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C13H15ClN2O3/c1-13(12(18)19)5-2-6-16(8-13)11(17)9-3-4-10(14)15-7-9/h3-4,7H,2,5-6,8H2,1H3,(H,18,19)
InChIKeyDPEFMIOPUFDADF-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.06
Rot. Bonds2

About 1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid

1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63134102) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63134102
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C13H15ClN2O3/c1-13(12(18)19)5-2-6-16(8-13)11(17)9-3-4-10(14)15-7-9/h3-4,7H,2,5-6,8H2,1H3,(H,18,19)
InChIKeyDPEFMIOPUFDADF-UHFFFAOYSA-N
XLogP2.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
(6-chloro-3-pyridinyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 131069080
(6-chloro-3-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63635890
1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 113452823
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63134382
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
1-(5-chlorofuran-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133539
1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 115867016
1-(3-amino-4-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107813100

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (CID 63134102) is 1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2ccc(Cl)nc2)C1.
What is the InChIKey of 1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is DPEFMIOPUFDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-13(12(18)19)5-2-6-16(8-13)11(17)9-3-4-10(14)15-7-9/h3-4,7H,2,5-6,8H2,1H3,(H,18,19).
What are the key properties of 1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).