2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride

C22H29Cl2N3O — CID 118483694

IUPAC2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCN1CCN(C(=O)CNC2(c3ccccc3)CC2c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C22H27N3O.2ClH/c1-24-12-14-25(15-13-24)21(26)17-23-22(19-10-6-3-7-11-19)16-20(22)18-8-4-2-5-9-18;;/h2-11,20,23H,12-17H2,1H3;2*1H
InChIKeyNODHXPAPKNOUKD-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.28
Rot. Bonds5

About 2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride

2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 118483694) has the molecular formula C22H29Cl2N3O and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID118483694
Molecular FormulaC22H29Cl2N3O
Molecular Weight422.40 g/mol
Exact Mass421.17
IUPAC Name2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCN1CCN(C(=O)CNC2(c3ccccc3)CC2c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C22H27N3O.2ClH/c1-24-12-14-25(15-13-24)21(26)17-23-22(19-10-6-3-7-11-19)16-20(22)18-8-4-2-5-9-18;;/h2-11,20,23H,12-17H2,1H3;2*1H
InChIKeyNODHXPAPKNOUKD-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[[(1S,2S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone
CID 90204198
1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone
CID 90204196
3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 162093666
3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 146920807
2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 90204692
1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride
CID 71811172
1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone
CID 62304031
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-triphenylphosphanium
CID 11743885
1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone
CID 90197363
2-(2-iodoanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28878586
2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393
3-(benzylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91054439

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride (CID 118483694) is 2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride is CN1CCN(C(=O)CNC2(c3ccccc3)CC2c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is NODHXPAPKNOUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.2ClH/c1-24-12-14-25(15-13-24)21(26)17-23-22(19-10-6-3-7-11-19)16-20(22)18-8-4-2-5-9-18;;/h2-11,20,23H,12-17H2,1H3;2*1H.
What are the key properties of 2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride?
2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 422.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 118483694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).