[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

C23H27N3O — CID 136521683

IUPAC[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESCN1CCN(Cc2ccc(C(=O)N3CC=C(c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C23H27N3O/c1-24-13-15-25(16-14-24)17-19-7-9-21(10-8-19)23(27)26-12-11-22(18-26)20-5-3-2-4-6-20/h2-11H,12-18H2,1H3
InChIKeyCFDOEJWAHMFFBG-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.97
Rot. Bonds4

About [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 136521683) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID136521683
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESCN1CCN(Cc2ccc(C(=O)N3CC=C(c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C23H27N3O/c1-24-13-15-25(16-14-24)17-19-7-9-21(10-8-19)23(27)26-12-11-22(18-26)20-5-3-2-4-6-20/h2-11H,12-18H2,1H3
InChIKeyCFDOEJWAHMFFBG-UHFFFAOYSA-N
XLogP2.97
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone with MolForge

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Related Compounds

ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43924483
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 72922431
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 90653096
[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 17366305
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone;dihydrochloride
CID 120659961
(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724584
(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167748506
(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
CID 99955888

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (CID 136521683) is [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is CN1CCN(Cc2ccc(C(=O)N3CC=C(c4ccccc4)C3)cc2)CC1.
What is the InChIKey of [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is CFDOEJWAHMFFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-24-13-15-25(16-14-24)17-19-7-9-21(10-8-19)23(27)26-12-11-22(18-26)20-5-3-2-4-6-20/h2-11H,12-18H2,1H3.
What are the key properties of [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 361.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 136521683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).