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

C18H21N3O2 — CID 137343550

IUPAC5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid
SMILESCc1ccccc1C1CCCN(Cc2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C18H21N3O2/c1-13-5-2-3-7-16(13)14-6-4-8-21(11-14)12-15-9-20-17(10-19-15)18(22)23/h2-3,5,7,9-10,14H,4,6,8,11-12H2,1H3,(H,22,23)
InChIKeyAZIBDNWBKRCMQO-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.86
Rot. Bonds4

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

5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid (PubChem CID 137343550) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid
PubChem CID137343550
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid
SMILESCc1ccccc1C1CCCN(Cc2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C18H21N3O2/c1-13-5-2-3-7-16(13)14-6-4-8-21(11-14)12-15-9-20-17(10-19-15)18(22)23/h2-3,5,7,9-10,14H,4,6,8,11-12H2,1H3,(H,22,23)
InChIKeyAZIBDNWBKRCMQO-UHFFFAOYSA-N
XLogP2.86
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(2-bromophenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid
CID 136555441
(3S)-3-(2-methylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 95872001
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid
CID 154747168
2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95867281
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074
2-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975828
3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137416
5-[[2-(4-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid
CID 136575201
trans-(1R,2R)-2-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129467421

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid (CID 137343550) is 5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid is Cc1ccccc1C1CCCN(Cc2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid?
The InChIKey is AZIBDNWBKRCMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-2-3-7-16(13)14-6-4-8-21(11-14)12-15-9-20-17(10-19-15)18(22)23/h2-3,5,7,9-10,14H,4,6,8,11-12H2,1H3,(H,22,23).
What are the key properties of 5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid?
5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 137343550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).