cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone

C10H18N2O — CID 64980051

IUPACcyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2CC2)C(C)CN1
InChIInChI=1S/C10H18N2O/c1-7-6-12(8(2)5-11-7)10(13)9-3-4-9/h7-9,11H,3-6H2,1-2H3
InChIKeyNKUFRBHSDQDUSZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds1

About cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone

cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone (PubChem CID 64980051) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone
PubChem CID64980051
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Namecyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2CC2)C(C)CN1
InChIInChI=1S/C10H18N2O/c1-7-6-12(8(2)5-11-7)10(13)9-3-4-9/h7-9,11H,3-6H2,1-2H3
InChIKeyNKUFRBHSDQDUSZ-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
(2R)-2,5-dimethylpiperazine-1-carboxylic acid
CID 175405538
1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309302
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
3-chloro-1-[(2R)-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 155448457
(2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid
CID 21115232
2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]but-2-enediamide
CID 70403200
2-methylbut-3-yn-2-yl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 89229025
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
1-(2,5-dimethylpiperazin-1-yl)pent-4-en-1-one
CID 64979472
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962
butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 94984334

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone (CID 64980051) is cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)C2CC2)C(C)CN1.
What is the InChIKey of cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is NKUFRBHSDQDUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7-6-12(8(2)5-11-7)10(13)9-3-4-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone?
cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 182.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 64980051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).