(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

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

1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110100536
4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid
CID 129053897
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one
CID 58496565
[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230145
[4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117085240
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
(4-methylpiperazin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 3692173
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
(4-methylpiperazin-1-yl)-[4-[6-(2-phenoxyethylamino)pyrimidin-4-yl]phenyl]methanone
CID 117082688

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).