5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid

C18H24N4O4 — CID 120684948

IUPAC5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cn1
InChIInChI=1S/C18H24N4O4/c23-16(6-5-13-3-1-2-4-13)21-7-9-22(10-8-21)17(24)14-11-20-15(12-19-14)18(25)26/h11-13H,1-10H2,(H,25,26)
InChIKeyHFNBJSABFHKGTG-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.43
Rot. Bonds5

About 5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid

5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid (PubChem CID 120684948) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
PubChem CID120684948
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cn1
InChIInChI=1S/C18H24N4O4/c23-16(6-5-13-3-1-2-4-13)21-7-9-22(10-8-21)17(24)14-11-20-15(12-19-14)18(25)26/h11-13H,1-10H2,(H,25,26)
InChIKeyHFNBJSABFHKGTG-UHFFFAOYSA-N
XLogP1.43
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)pyrazine-2-carboxylic acid
CID 120689040
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 134020932
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673013
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid (CID 120684948) is 5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cn1.
What is the InChIKey of 5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The InChIKey is HFNBJSABFHKGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-16(6-5-13-3-1-2-4-13)21-7-9-22(10-8-21)17(24)14-11-20-15(12-19-14)18(25)26/h11-13H,1-10H2,(H,25,26).
What are the key properties of 5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120684948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).