(4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone

C27H32N4O — CID 58496597

IUPAC(4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone
SMILESCCCC(Cc1cncc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)n1)c1ccccc1
InChIInChI=1S/C27H32N4O/c1-3-7-24(21-8-5-4-6-9-21)18-25-19-28-20-26(29-25)22-10-12-23(13-11-22)27(32)31-16-14-30(2)15-17-31/h4-6,8-13,19-20,24H,3,7,14-18H2,1-2H3
InChIKeyOAEXZRMOGQQUGR-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.66
Rot. Bonds7

About (4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone

(4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone (PubChem CID 58496597) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone
PubChem CID58496597
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name(4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone
SMILESCCCC(Cc1cncc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)n1)c1ccccc1
InChIInChI=1S/C27H32N4O/c1-3-7-24(21-8-5-4-6-9-21)18-25-19-28-20-26(29-25)22-10-12-23(13-11-22)27(32)31-16-14-30(2)15-17-31/h4-6,8-13,19-20,24H,3,7,14-18H2,1-2H3
InChIKeyOAEXZRMOGQQUGR-UHFFFAOYSA-N
XLogP4.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone (CID 58496597) is (4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone is CCCC(Cc1cncc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)n1)c1ccccc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone?
The InChIKey is OAEXZRMOGQQUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-3-7-24(21-8-5-4-6-9-21)18-25-19-28-20-26(29-25)22-10-12-23(13-11-22)27(32)31-16-14-30(2)15-17-31/h4-6,8-13,19-20,24H,3,7,14-18H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone has a molecular weight of 428.58 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone is sourced from PubChem (CID 58496597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).