1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid

C16H21N3O2 — CID 63126361

IUPAC1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc(C)ccc2C#N)CC1
InChIInChI=1S/C16H21N3O2/c1-3-6-16(15(20)21)7-9-19(10-8-16)14-13(11-17)5-4-12(2)18-14/h4-5H,3,6-10H2,1-2H3,(H,20,21)
InChIKeyPMOHTNOVZHPWEK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.73
Rot. Bonds4

About 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid

1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126361) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63126361
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc(C)ccc2C#N)CC1
InChIInChI=1S/C16H21N3O2/c1-3-6-16(15(20)21)7-9-19(10-8-16)14-13(11-17)5-4-12(2)18-14/h4-5H,3,6-10H2,1-2H3,(H,20,21)
InChIKeyPMOHTNOVZHPWEK-UHFFFAOYSA-N
XLogP2.73
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyano-6-methyl-2-pyridinyl)-3-propylpiperidine-3-carboxylic acid
CID 63136445
1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 80508592
1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 63126206
1-(2-cyano-5-methylphenyl)-4-propylpiperidine-4-carboxylic acid
CID 63126431
1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65417525
2-(8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carbonitrile
CID 55159875
2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile
CID 107404520
1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid
CID 63126259
1-(3-bromo-4-cyano-2-fluorophenyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107532845
2-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetaldehyde
CID 158047653
2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 63344062
2-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681931

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid (CID 63126361) is 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(c2nc(C)ccc2C#N)CC1.
What is the InChIKey of 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is PMOHTNOVZHPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-6-16(15(20)21)7-9-19(10-8-16)14-13(11-17)5-4-12(2)18-14/h4-5H,3,6-10H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).