2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone

C15H28N2O — CID 120572103

IUPAC2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone
SMILESCC1NCCN(C(=O)CC2CCCCCC2)C1C
InChIInChI=1S/C15H28N2O/c1-12-13(2)17(10-9-16-12)15(18)11-14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3
InChIKeyHYUMGNRGUVWLNV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds2

About 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone

2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone (PubChem CID 120572103) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone
PubChem CID120572103
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone
SMILESCC1NCCN(C(=O)CC2CCCCCC2)C1C
InChIInChI=1S/C15H28N2O/c1-12-13(2)17(10-9-16-12)15(18)11-14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3
InChIKeyHYUMGNRGUVWLNV-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120572102
3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120570290
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120570972
2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 122081276
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
(2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid
CID 122115293
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone
CID 120572516

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone (CID 120572103) is 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone is CC1NCCN(C(=O)CC2CCCCCC2)C1C.
What is the InChIKey of 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone?
The InChIKey is HYUMGNRGUVWLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-13(2)17(10-9-16-12)15(18)11-14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone?
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone has a molecular weight of 252.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 120572103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).