[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C19H23N5O — CID 109273545

IUPAC[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(N2CCN(c3ccccc3)CC2)cn1)N1CCCC1
InChIInChI=1S/C19H23N5O/c25-19(24-8-4-5-9-24)17-14-21-18(15-20-17)23-12-10-22(11-13-23)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2
InChIKeyZBNJIOSHJWYYKN-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.04
Rot. Bonds3

About [5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109273545) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID109273545
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(N2CCN(c3ccccc3)CC2)cn1)N1CCCC1
InChIInChI=1S/C19H23N5O/c25-19(24-8-4-5-9-24)17-14-21-18(15-20-17)23-12-10-22(11-13-23)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2
InChIKeyZBNJIOSHJWYYKN-UHFFFAOYSA-N
XLogP2.04
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276422
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278105
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182571
[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273565
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
4-[5-(azepane-1-carbonyl)pyrazin-2-yl]piperazine-1-carbaldehyde
CID 109278935
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
[5-(4-ethylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273513
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273559
morpholin-4-yl-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276440
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621

Frequently Asked Questions

What is the IUPAC name of [5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 109273545) is [5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc(N2CCN(c3ccccc3)CC2)cn1)N1CCCC1.
What is the InChIKey of [5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZBNJIOSHJWYYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19(24-8-4-5-9-24)17-14-21-18(15-20-17)23-12-10-22(11-13-23)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2.
What are the key properties of [5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 337.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109273545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).