5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid

C18H23N5O2 — CID 122047756

IUPAC5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid
SMILESCC(CNc1cnc(C(=O)O)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N5O2/c1-14(11-20-17-13-19-16(12-21-17)18(24)25)22-7-9-23(10-8-22)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,20,21)(H,24,25)
InChIKeyPCKUVXKGMGASNY-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.80
Rot. Bonds6

About 5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid

5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid (PubChem CID 122047756) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid
PubChem CID122047756
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid
SMILESCC(CNc1cnc(C(=O)O)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N5O2/c1-14(11-20-17-13-19-16(12-21-17)18(24)25)22-7-9-23(10-8-22)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,20,21)(H,24,25)
InChIKeyPCKUVXKGMGASNY-UHFFFAOYSA-N
XLogP1.80
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]pyrazine-2-carboxylic acid
CID 122047957
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 167961771
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
5-[2-(2-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048266
5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid
CID 122053074
5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid
CID 122048084
1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 86989887

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid (CID 122047756) is 5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid is CC(CNc1cnc(C(=O)O)cn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid?
The InChIKey is PCKUVXKGMGASNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14(11-20-17-13-19-16(12-21-17)18(24)25)22-7-9-23(10-8-22)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,20,21)(H,24,25).
What are the key properties of 5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid?
5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid has a molecular weight of 341.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122047756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).