3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid

C16H23N3O2 — CID 72845365

IUPAC3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cnc(C)c(N2CCCC(CC3CC3)(C(=O)O)C2)n1
InChIInChI=1S/C16H23N3O2/c1-11-9-17-12(2)14(18-11)19-7-3-6-16(10-19,15(20)21)8-13-4-5-13/h9,13H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyGMEZLUGMFIRTIJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.56
Rot. Bonds4

About 3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid

3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid (PubChem CID 72845365) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid
PubChem CID72845365
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cnc(C)c(N2CCCC(CC3CC3)(C(=O)O)C2)n1
InChIInChI=1S/C16H23N3O2/c1-11-9-17-12(2)14(18-11)19-7-3-6-16(10-19,15(20)21)8-13-4-5-13/h9,13H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyGMEZLUGMFIRTIJ-UHFFFAOYSA-N
XLogP2.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid (CID 72845365) is 3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid is Cc1cnc(C)c(N2CCCC(CC3CC3)(C(=O)O)C2)n1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is GMEZLUGMFIRTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-9-17-12(2)14(18-11)19-7-3-6-16(10-19,15(20)21)8-13-4-5-13/h9,13H,3-8,10H2,1-2H3,(H,20,21).
What are the key properties of 3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid?
3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72845365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).