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

C12H23N3O — CID 122081276

IUPAC2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
SMILESCC1NCCN(C(=O)CNCC2CC2)C1C
InChIInChI=1S/C12H23N3O/c1-9-10(2)15(6-5-14-9)12(16)8-13-7-11-3-4-11/h9-11,13-14H,3-8H2,1-2H3
InChIKeyLGUZXGMRDYXBRR-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.19
Rot. Bonds4

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

2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone (PubChem CID 122081276) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
PubChem CID122081276
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
SMILESCC1NCCN(C(=O)CNCC2CC2)C1C
InChIInChI=1S/C12H23N3O/c1-9-10(2)15(6-5-14-9)12(16)8-13-7-11-3-4-11/h9-11,13-14H,3-8H2,1-2H3
InChIKeyLGUZXGMRDYXBRR-UHFFFAOYSA-N
XLogP0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572103
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
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102780606
1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone
CID 120571061
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120570972
1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 120572583
3-butylsulfanyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569467
5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120571955
1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone
CID 120572516

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone (CID 122081276) is 2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone is CC1NCCN(C(=O)CNCC2CC2)C1C.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone?
The InChIKey is LGUZXGMRDYXBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-10(2)15(6-5-14-9)12(16)8-13-7-11-3-4-11/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone?
2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 122081276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).