5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid

C14H21N3O2 — CID 122048917

IUPAC5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCC(C)CC1CCCN(c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C14H21N3O2/c1-10(2)6-11-4-3-5-17(9-11)13-8-15-12(7-16-13)14(18)19/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyWFDFTCZZKOPRQH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.44
Rot. Bonds4

About 5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid

5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122048917) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122048917
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCC(C)CC1CCCN(c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C14H21N3O2/c1-10(2)6-11-4-3-5-17(9-11)13-8-15-12(7-16-13)14(18)19/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyWFDFTCZZKOPRQH-UHFFFAOYSA-N
XLogP2.44
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(azepan-1-ylmethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053599
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 129470217
6-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridin-3-amine
CID 174705395
5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054244
(2-methyl-5-phenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone
CID 58207561
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
(4-methylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275074
5-(3-ethylpiperidin-1-yl)pyrazin-2-amine
CID 80652769
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-(6-methyl-1,4-thiazepan-4-yl)pyrazine-2-carboxylic acid
CID 122051928
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109288459

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122048917) is 5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid is CC(C)CC1CCCN(c2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is WFDFTCZZKOPRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)6-11-4-3-5-17(9-11)13-8-15-12(7-16-13)14(18)19/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122048917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).