2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one

C16H25N3O — CID 39284199

IUPAC2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCCN(c1ccccc1)C(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C16H25N3O/c1-4-19(14-8-6-5-7-9-14)16(2,3)15(20)18-12-10-17-11-13-18/h5-9,17H,4,10-13H2,1-3H3
InChIKeyBSBNXSOTCVWKIP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.72
Rot. Bonds4

About 2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one

2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one (PubChem CID 39284199) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
PubChem CID39284199
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCCN(c1ccccc1)C(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C16H25N3O/c1-4-19(14-8-6-5-7-9-14)16(2,3)15(20)18-12-10-17-11-13-18/h5-9,17H,4,10-13H2,1-3H3
InChIKeyBSBNXSOTCVWKIP-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39284519
1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea
CID 82511597
tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate
CID 91520427
2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
CID 10470597
1-(1,4-diazepan-1-yl)-2-ethyl-2-phenylbutan-1-one;hydrochloride
CID 119415836
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
1-(1,4-diazepan-1-yl)-2,2-dimethyl-5-phenylpentan-1-one
CID 119414461
1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 39147665
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-phenylacetamide
CID 119915329
N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline
CID 143277859
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylpropanamide
CID 119454636

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one (CID 39284199) is 2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one is CCN(c1ccccc1)C(C)(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is BSBNXSOTCVWKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19(14-8-6-5-7-9-14)16(2,3)15(20)18-12-10-17-11-13-18/h5-9,17H,4,10-13H2,1-3H3.
What are the key properties of 2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one?
2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 275.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39284199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).