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

C15H19N3O2 — CID 63126206

IUPAC1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C15H19N3O2/c1-2-5-15(14(19)20)6-9-18(10-7-15)13-12(11-16)4-3-8-17-13/h3-4,8H,2,5-7,9-10H2,1H3,(H,19,20)
InChIKeyXVNINXBQRHJGDV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.42
Rot. Bonds4

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

1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126206) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63126206
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C15H19N3O2/c1-2-5-15(14(19)20)6-9-18(10-7-15)13-12(11-16)4-3-8-17-13/h3-4,8H,2,5-7,9-10H2,1H3,(H,19,20)
InChIKeyXVNINXBQRHJGDV-UHFFFAOYSA-N
XLogP2.42
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 80508592
1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 63126361
1-(2-cyano-5-methylphenyl)-4-propylpiperidine-4-carboxylic acid
CID 63126431
1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid
CID 63126259
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65417525
1-(3-bromo-4-cyano-2-fluorophenyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107532845
1-(3-cyano-6-methyl-2-pyridinyl)-3-propylpiperidine-3-carboxylic acid
CID 63136445
1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166159
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide
CID 90349842
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile
CID 172891494

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid (CID 63126206) is 1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(c2ncccc2C#N)CC1.
What is the InChIKey of 1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is XVNINXBQRHJGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-5-15(14(19)20)6-9-18(10-7-15)13-12(11-16)4-3-8-17-13/h3-4,8H,2,5-7,9-10H2,1H3,(H,19,20).
What are the key properties of 1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).