1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride

C24H33Cl2N3O — CID 71811172

IUPAC1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride
SMILESCN1CCN(C(=O)CN[C@H]2CC2c2ccc(CCc3ccccc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C24H31N3O.2ClH/c1-26-13-15-27(16-14-26)24(28)18-25-23-17-22(23)21-11-9-20(10-12-21)8-7-19-5-3-2-4-6-19;;/h2-6,9-12,22-23,25H,7-8,13-18H2,1H3;2*1H/t22?,23-;;/m0../s1
InChIKeyXRERJWXJLNWXAM-OLBPYZPGSA-N
MW450.45 g/mol
LogP3.53
Rot. Bonds7

About 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride

1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride (PubChem CID 71811172) has the molecular formula C24H33Cl2N3O and a molecular weight of 450.45 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride
PubChem CID71811172
Molecular FormulaC24H33Cl2N3O
Molecular Weight450.45 g/mol
Exact Mass449.20
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride
SMILESCN1CCN(C(=O)CN[C@H]2CC2c2ccc(CCc3ccccc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C24H31N3O.2ClH/c1-26-13-15-27(16-14-26)24(28)18-25-23-17-22(23)21-11-9-20(10-12-21)8-7-19-5-3-2-4-6-19;;/h2-6,9-12,22-23,25H,7-8,13-18H2,1H3;2*1H/t22?,23-;;/m0../s1
InChIKeyXRERJWXJLNWXAM-OLBPYZPGSA-N
XLogP3.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylpiperazin-1-yl)-2-[[2-[4-(2-phenylethoxy)phenyl]cyclopropyl]amino]ethanone
CID 66978908
1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino]ethanone
CID 154002845
2-[[(1S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 58486500
2-[[2-(4-cyclopropylphenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 56960901
2-[[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67370694
1-(4-methylpiperazin-1-yl)-2-[[2-[4-[2-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethanone;dihydrochloride
CID 67378740
1-(4-ethylpiperazin-1-yl)-2-[(2-phenylcyclopropyl)amino]ethanone
CID 66978917
4-[4-[(1R,2S)-2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]cyclopropyl]phenyl]benzonitrile
CID 90654157
1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone
CID 67368844
2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 66978926
2-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67371892
2-[[(1S,2R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67449223

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride (CID 71811172) is 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride is CN1CCN(C(=O)CN[C@H]2CC2c2ccc(CCc3ccccc3)cc2)CC1.Cl.Cl.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride?
The InChIKey is XRERJWXJLNWXAM-OLBPYZPGSA-N. The full InChI is InChI=1S/C24H31N3O.2ClH/c1-26-13-15-27(16-14-26)24(28)18-25-23-17-22(23)21-11-9-20(10-12-21)8-7-19-5-3-2-4-6-19;;/h2-6,9-12,22-23,25H,7-8,13-18H2,1H3;2*1H/t22?,23-;;/m0../s1.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride?
1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride has a molecular weight of 450.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride is sourced from PubChem (CID 71811172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).