5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid

C18H21N3O2 — CID 77093885

IUPAC5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
SMILESCC(c1ccc(-c2cnc(C(=O)O)cn2)cc1)N1CCCCC1
InChIInChI=1S/C18H21N3O2/c1-13(21-9-3-2-4-10-21)14-5-7-15(8-6-14)16-11-20-17(12-19-16)18(22)23/h5-8,11-13H,2-4,9-10H2,1H3,(H,22,23)
InChIKeyWHLGMHJAJXOALR-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.39
Rot. Bonds4

About 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid

5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid (PubChem CID 77093885) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
PubChem CID77093885
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
SMILESCC(c1ccc(-c2cnc(C(=O)O)cn2)cc1)N1CCCCC1
InChIInChI=1S/C18H21N3O2/c1-13(21-9-3-2-4-10-21)14-5-7-15(8-6-14)16-11-20-17(12-19-16)18(22)23/h5-8,11-13H,2-4,9-10H2,1H3,(H,22,23)
InChIKeyWHLGMHJAJXOALR-UHFFFAOYSA-N
XLogP3.39
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122559884
2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine
CID 50977546
N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide
CID 99952412
5-(4-chlorophenyl)pyrazine-2-carboxylic acid
CID 82389581
6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122563480
3-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1,2,5-thiadiazole
CID 126438753
4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 99944502
2-[3-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1,2,4-triazol-1-yl]acetic acid
CID 125440785
1,3-dimethyl-4-[4-(1-piperidin-1-ylethyl)phenyl]pyrazole-5-carboxylic acid
CID 122568378
5-fluoro-2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 126453075
2-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]propanoic acid
CID 125434955
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
CID 125436875

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid (CID 77093885) is 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid is CC(c1ccc(-c2cnc(C(=O)O)cn2)cc1)N1CCCCC1.
What is the InChIKey of 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is WHLGMHJAJXOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(21-9-3-2-4-10-21)14-5-7-15(8-6-14)16-11-20-17(12-19-16)18(22)23/h5-8,11-13H,2-4,9-10H2,1H3,(H,22,23).
What are the key properties of 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid?
5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 311.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 77093885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).