2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one

C20H40N4O2 — CID 158455362

IUPAC2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)C)CC1.CN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/2C10H20N2O/c2*1-10(2,3)9(13)12-7-5-11(4)6-8-12/h2*5-8H2,1-4H3
InChIKeyHEMQHNSGORXXFP-UHFFFAOYSA-N
MW368.57 g/mol
LogP1.61
Rot. Bonds

About 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one

2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 158455362) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID158455362
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)C)CC1.CN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/2C10H20N2O/c2*1-10(2,3)9(13)12-7-5-11(4)6-8-12/h2*5-8H2,1-4H3
InChIKeyHEMQHNSGORXXFP-UHFFFAOYSA-N
XLogP1.61
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 130165267
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
CID 113221897
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 166881497
4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
CID 110810662
2,2-dimethyl-1-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]propan-1-one
CID 86610208
2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one
CID 65070633
4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
CID 66718761
2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
CID 83634925
(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 28705148

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one (CID 158455362) is 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)C(C)(C)C)CC1.CN1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is HEMQHNSGORXXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20N2O/c2*1-10(2,3)9(13)12-7-5-11(4)6-8-12/h2*5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 368.57 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 158455362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).