(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one

C20H23ClN2O — CID 29021819

IUPAC(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCN1CCN(C(=O)C[C@H](c2ccccc2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O/c1-22-10-12-23(13-11-22)20(24)15-19(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-9,14,19H,10-13,15H2,1H3/t19-/m1/s1
InChIKeyDLIHRQFBHYDMOC-LJQANCHMSA-N
MW342.87 g/mol
LogP3.64
Rot. Bonds4

About (3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one

(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 29021819) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID29021819
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCN1CCN(C(=O)C[C@H](c2ccccc2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O/c1-22-10-12-23(13-11-22)20(24)15-19(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-9,14,19H,10-13,15H2,1H3/t19-/m1/s1
InChIKeyDLIHRQFBHYDMOC-LJQANCHMSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
(3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29105223
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 117243308
1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 20795205
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 42774836
4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
CID 110708065

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of (3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one (CID 29021819) is (3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for (3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one is CN1CCN(C(=O)C[C@H](c2ccccc2)c2cccc(Cl)c2)CC1.
What is the InChIKey of (3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is DLIHRQFBHYDMOC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-22-10-12-23(13-11-22)20(24)15-19(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-9,14,19H,10-13,15H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 342.87 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 29021819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).