2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone

C12H23N3O — CID 63633328

IUPAC2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)CNCC2CC2)CCN1C
InChIInChI=1S/C12H23N3O/c1-10-9-15(6-5-14(10)2)12(16)8-13-7-11-3-4-11/h10-11,13H,3-9H2,1-2H3
InChIKeyMJQJIQMJNUBHOA-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds4

About 2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone

2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone (PubChem CID 63633328) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
PubChem CID63633328
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)CNCC2CC2)CCN1C
InChIInChI=1S/C12H23N3O/c1-10-9-15(6-5-14(10)2)12(16)8-13-7-11-3-4-11/h10-11,13H,3-9H2,1-2H3
InChIKeyMJQJIQMJNUBHOA-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 81200466
2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799
methyl 4-(3,4-dimethylpiperazin-1-yl)-4-oxobutanoate
CID 110707573
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838548
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79614821
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone (CID 63633328) is 2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone is CC1CN(C(=O)CNCC2CC2)CCN1C.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone?
The InChIKey is MJQJIQMJNUBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-9-15(6-5-14(10)2)12(16)8-13-7-11-3-4-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone?
2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63633328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).