[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone

C24H33N3O — CID 110290516

IUPAC[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone
SMILESCC1CN(C(=O)c2cccc(-c3ccccc3)c2)CC(C)N1CCCN(C)C
InChIInChI=1S/C24H33N3O/c1-19-17-26(18-20(2)27(19)15-9-14-25(3)4)24(28)23-13-8-12-22(16-23)21-10-6-5-7-11-21/h5-8,10-13,16,19-20H,9,14-15,17-18H2,1-4H3
InChIKeyXLJSDQHOFLPJDO-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.84
Rot. Bonds6

About [4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone

[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone (PubChem CID 110290516) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is [4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone
PubChem CID110290516
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone
SMILESCC1CN(C(=O)c2cccc(-c3ccccc3)c2)CC(C)N1CCCN(C)C
InChIInChI=1S/C24H33N3O/c1-19-17-26(18-20(2)27(19)15-9-14-25(3)4)24(28)23-13-8-12-22(16-23)21-10-6-5-7-11-21/h5-8,10-13,16,19-20H,9,14-15,17-18H2,1-4H3
InChIKeyXLJSDQHOFLPJDO-UHFFFAOYSA-N
XLogP3.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 110354468
[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 110413017
(3,4-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone
CID 110290343
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110290369
(3-bromophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658298
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
CID 110657704
1-(2-chlorophenyl)-4-[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]butane-1,4-dione
CID 110629280
1-[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110308523
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658326
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073778

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone?
The IUPAC name of [4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone (CID 110290516) is [4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone.
What is the SMILES notation for [4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone?
The canonical SMILES for [4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone is CC1CN(C(=O)c2cccc(-c3ccccc3)c2)CC(C)N1CCCN(C)C.
What is the InChIKey of [4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone?
The InChIKey is XLJSDQHOFLPJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-19-17-26(18-20(2)27(19)15-9-14-25(3)4)24(28)23-13-8-12-22(16-23)21-10-6-5-7-11-21/h5-8,10-13,16,19-20H,9,14-15,17-18H2,1-4H3.
What are the key properties of [4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone?
[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone has a molecular weight of 379.55 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone is sourced from PubChem (CID 110290516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).