1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one

C10H20N2O — CID 64592806

IUPAC1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C10H20N2O/c1-5-9(13)12-7-6-11(4)10(2,3)8-12/h5-8H2,1-4H3
InChIKeyNMFPZAFWTNKYIR-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.95
Rot. Bonds1

About 1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one

1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one (PubChem CID 64592806) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
PubChem CID64592806
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C10H20N2O/c1-5-9(13)12-7-6-11(4)10(2,3)8-12/h5-8H2,1-4H3
InChIKeyNMFPZAFWTNKYIR-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 81168595
5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one
CID 82851488
4-(propan-2-ylamino)-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 55215249
2-amino-1-(3,3,4-trimethylpiperazin-1-yl)pentan-1-one
CID 63634228
2-(aminomethyl)-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 63609215
3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 116656025
2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634230
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-(3-methyl-3-sulfanylpyrrolidin-1-yl)propan-1-one
CID 123989065
2,3-dimethyl-4-oxo-4-(3,3,4-trimethylpiperazin-1-yl)but-2-enoic acid
CID 77000751
3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 116656011
3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63633887

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one (CID 64592806) is 1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one is CCC(=O)N1CCN(C)C(C)(C)C1.
What is the InChIKey of 1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The InChIKey is NMFPZAFWTNKYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-9(13)12-7-6-11(4)10(2,3)8-12/h5-8H2,1-4H3.
What are the key properties of 1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 64592806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).