2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one

C14H27N3O2 — CID 119708836

IUPAC2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-11(10-15-5)12(18)16-6-8-17(9-7-16)13(19)14(2,3)4/h11,15H,6-10H2,1-5H3
InChIKeyNODRPLLTJPWKIY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.56
Rot. Bonds3

About 2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one (PubChem CID 119708836) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one
PubChem CID119708836
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-11(10-15-5)12(18)16-6-8-17(9-7-16)13(19)14(2,3)4/h11,15H,6-10H2,1-5H3
InChIKeyNODRPLLTJPWKIY-UHFFFAOYSA-N
XLogP0.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738900
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742
1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202628
2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
CID 83634925
N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride
CID 119695730
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
1-(4,4-diethylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202240
2-methyl-3-(methylamino)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one
CID 119844308
2-methyl-3-(methylamino)-1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 119822280
2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one (CID 119708836) is 2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one is CNCC(C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one?
The InChIKey is NODRPLLTJPWKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(10-15-5)12(18)16-6-8-17(9-7-16)13(19)14(2,3)4/h11,15H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119708836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).