[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone

C16H25N3O — CID 63620069

IUPAC[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCCNc1ccccc1C(=O)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C16H25N3O/c1-5-17-14-9-7-6-8-13(14)15(20)19-11-10-18(4)16(2,3)12-19/h6-9,17H,5,10-12H2,1-4H3
InChIKeyBEBIIGDBZVCIEA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.28
Rot. Bonds3

About [2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone

[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 63620069) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID63620069
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCCNc1ccccc1C(=O)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C16H25N3O/c1-5-17-14-9-7-6-8-13(14)15(20)19-11-10-18(4)16(2,3)12-19/h6-9,17H,5,10-12H2,1-4H3
InChIKeyBEBIIGDBZVCIEA-UHFFFAOYSA-N
XLogP2.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107223818
3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone
CID 114411450
[3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63615127
[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63614802
7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094873
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-(ethylamino)phenyl]methanone
CID 64575650
4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
CID 63606608
(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 55249335
(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107952423
(2-amino-3-nitrophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 115936768
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070704

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 63620069) is [2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone is CCNc1ccccc1C(=O)N1CCN(C)C(C)(C)C1.
What is the InChIKey of [2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is BEBIIGDBZVCIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-17-14-9-7-6-8-13(14)15(20)19-11-10-18(4)16(2,3)12-19/h6-9,17H,5,10-12H2,1-4H3.
What are the key properties of [2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63620069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).