1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one

C14H29N3O — CID 110290314

IUPAC1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(C)N(CCN(C)C)C(C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)14(18)16-9-12(3)17(13(4)10-16)8-7-15(5)6/h11-13H,7-10H2,1-6H3
InChIKeyCXJPOJWZTIWTAN-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.13
Rot. Bonds4

About 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one

1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one (PubChem CID 110290314) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
PubChem CID110290314
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(C)N(CCN(C)C)C(C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)14(18)16-9-12(3)17(13(4)10-16)8-7-15(5)6/h11-13H,7-10H2,1-6H3
InChIKeyCXJPOJWZTIWTAN-UHFFFAOYSA-N
XLogP1.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one
CID 110290316
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 110290389
1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110393954
4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide
CID 110290524
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]ethanone
CID 110629176
2-[2-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110290357
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110290369
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 131131296
N-cyclopropyl-4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazine-1-carboxamide
CID 110308563
(3,4-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone
CID 110290343
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-3-(4-fluorophenyl)hexan-1-one
CID 110354469
(3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone
CID 110290386

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one (CID 110290314) is 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC(C)N(CCN(C)C)C(C)C1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is CXJPOJWZTIWTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)14(18)16-9-12(3)17(13(4)10-16)8-7-15(5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one?
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110290314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).