[4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone

C16H25N3O — CID 110662268

IUPAC[4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N(C)C)cc2)CC(C)N1C
InChIInChI=1S/C16H25N3O/c1-12-10-19(11-13(2)18(12)5)16(20)14-6-8-15(9-7-14)17(3)4/h6-9,12-13H,10-11H2,1-5H3
InChIKeyRIXBQNUAMJIILG-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.92
Rot. Bonds2

About [4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone

[4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 110662268) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID110662268
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N(C)C)cc2)CC(C)N1C
InChIInChI=1S/C16H25N3O/c1-12-10-19(11-13(2)18(12)5)16(20)14-6-8-15(9-7-14)17(3)4/h6-9,12-13H,10-11H2,1-5H3
InChIKeyRIXBQNUAMJIILG-UHFFFAOYSA-N
XLogP1.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
N'-hydroxy-4-(3,4,5-trimethylpiperazine-1-carbonyl)benzenecarboximidamide
CID 114539189
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540449
(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662312
[4-(dimethylamino)phenyl]-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 99948127
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114537100
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66084706
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 110662268) is [4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(N(C)C)cc2)CC(C)N1C.
What is the InChIKey of [4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is RIXBQNUAMJIILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-10-19(11-13(2)18(12)5)16(20)14-6-8-15(9-7-14)17(3)4/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of [4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
[4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110662268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).