2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one

C23H27N3O2 — CID 163432358

IUPAC2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(C(O)C(=O)c2c[nH]c3ccccc23)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-16-7-9-17(10-8-16)21(26-13-11-25(2)12-14-26)23(28)22(27)19-15-24-20-6-4-3-5-18(19)20/h3-10,15,21,23-24,28H,11-14H2,1-2H3
InChIKeyVOJLTDZSCKEPRG-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.01
Rot. Bonds5

About 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one

2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 163432358) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID163432358
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(C(O)C(=O)c2c[nH]c3ccccc23)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-16-7-9-17(10-8-16)21(26-13-11-25(2)12-14-26)23(28)22(27)19-15-24-20-6-4-3-5-18(19)20/h3-10,15,21,23-24,28H,11-14H2,1-2H3
InChIKeyVOJLTDZSCKEPRG-UHFFFAOYSA-N
XLogP3.01
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-3-(4-chlorophenyl)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 51630361
(2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
CID 26367756
2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
CID 17036982
(2R,3R)-3-(4-chlorophenyl)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 26367322
3-(4-benzylpiperidin-1-yl)-2-hydroxy-1-(1H-indol-3-yl)-3-phenylpropan-1-one
CID 43912421
(2S,3R)-2-hydroxy-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 26367394
(2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 26367443
(2S,3R)-3-(4-benzylpiperidin-1-yl)-2-hydroxy-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)propan-1-one
CID 26367416
[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 166765134
1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 46662835
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 34134673
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one (CID 163432358) is 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one is Cc1ccc(C(C(O)C(=O)c2c[nH]c3ccccc23)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is VOJLTDZSCKEPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-7-9-17(10-8-16)21(26-13-11-25(2)12-14-26)23(28)22(27)19-15-24-20-6-4-3-5-18(19)20/h3-10,15,21,23-24,28H,11-14H2,1-2H3.
What are the key properties of 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 377.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 163432358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).