cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone

C11H20N2O — CID 130678865

IUPACcyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CC2)C[C@H](C)N1C
InChIInChI=1S/C11H20N2O/c1-8-6-13(7-9(2)12(8)3)11(14)10-4-5-10/h8-10H,4-7H2,1-3H3/t8-,9+
InChIKeyWTGNZKLSJKZTHT-DTORHVGOSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds1

About cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone

cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone (PubChem CID 130678865) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
PubChem CID130678865
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Namecyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CC2)C[C@H](C)N1C
InChIInChI=1S/C11H20N2O/c1-8-6-13(7-9(2)12(8)3)11(14)10-4-5-10/h8-10H,4-7H2,1-3H3/t8-,9+
InChIKeyWTGNZKLSJKZTHT-DTORHVGOSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093101
(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536713
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl chloride
CID 131028451
1-(3,4,5-trimethylpiperazin-1-yl)prop-2-yn-1-one
CID 130702966
4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783353
2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 103430580
[(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone
CID 58488078
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
(3S,4S)-4-methyl-1-(4-propan-2-ylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 120952125
(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 95933340

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone (CID 130678865) is cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)C2CC2)C[C@H](C)N1C.
What is the InChIKey of cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
The InChIKey is WTGNZKLSJKZTHT-DTORHVGOSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-6-13(7-9(2)12(8)3)11(14)10-4-5-10/h8-10H,4-7H2,1-3H3/t8-,9+.
What are the key properties of cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone has a molecular weight of 196.29 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 cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 130678865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).