3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one

C23H28N2O — CID 162093666

IUPAC3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CC[C@]2(c3ccccc3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c1-24-14-16-25(17-15-24)22(26)12-13-23(20-10-6-3-7-11-20)18-21(23)19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3/t21-,23+/m0/s1
InChIKeyZDYLBPXGOOBJBW-JTHBVZDNSA-N
MW348.49 g/mol
LogP3.67
Rot. Bonds5

About 3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one

3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 162093666) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID162093666
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CC[C@]2(c3ccccc3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c1-24-14-16-25(17-15-24)22(26)12-13-23(20-10-6-3-7-11-20)18-21(23)19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3/t21-,23+/m0/s1
InChIKeyZDYLBPXGOOBJBW-JTHBVZDNSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 146920807
2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 118483694
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017255
3-(benzylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91054439
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 171387000
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
1-(4-methylpiperazin-1-yl)-2-[[(1S,2S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone
CID 90204198

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one (CID 162093666) is 3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CC[C@]2(c3ccccc3)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is ZDYLBPXGOOBJBW-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H28N2O/c1-24-14-16-25(17-15-24)22(26)12-13-23(20-10-6-3-7-11-20)18-21(23)19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3/t21-,23+/m0/s1.
What are the key properties of 3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one?
3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 348.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-1,2-diphenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 162093666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).