(2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one

C23H26N2O2 — CID 26367756

IUPAC(2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)N2CCCCC2)cc1
InChIInChI=1S/C23H26N2O2/c1-16-9-11-17(12-10-16)21(25-13-5-2-6-14-25)23(27)22(26)19-15-24-20-8-4-3-7-18(19)20/h3-4,7-12,15,21,23-24,27H,2,5-6,13-14H2,1H3/t21-,23+/m0/s1
InChIKeyBDUJJSNDCGLHIS-JTHBVZDNSA-N
MW362.47 g/mol
LogP4.25
Rot. Bonds5

About (2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one

(2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 26367756) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID26367756
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)N2CCCCC2)cc1
InChIInChI=1S/C23H26N2O2/c1-16-9-11-17(12-10-16)21(25-13-5-2-6-14-25)23(27)22(26)19-15-24-20-8-4-3-7-18(19)20/h3-4,7-12,15,21,23-24,27H,2,5-6,13-14H2,1H3/t21-,23+/m0/s1
InChIKeyBDUJJSNDCGLHIS-JTHBVZDNSA-N
XLogP4.25
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
CID 17036982
2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 163432358
(2R,3R)-3-(4-chlorophenyl)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 51630361
3-(4-benzylpiperidin-1-yl)-2-hydroxy-1-(1H-indol-3-yl)-3-phenylpropan-1-one
CID 43912421
(2R,3R)-3-(4-chlorophenyl)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 26367322
(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
1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one
CID 117066232
(2S,3R)-3-(4-benzylpiperidin-1-yl)-2-hydroxy-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)propan-1-one
CID 26367416
(2S)-2-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 41045642
(2R)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 99978373
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 34134673

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one (CID 26367756) is (2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one is Cc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)N2CCCCC2)cc1.
What is the InChIKey of (2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is BDUJJSNDCGLHIS-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-9-11-17(12-10-16)21(25-13-5-2-6-14-25)23(27)22(26)19-15-24-20-8-4-3-7-18(19)20/h3-4,7-12,15,21,23-24,27H,2,5-6,13-14H2,1H3/t21-,23+/m0/s1.
What are the key properties of (2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
(2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 362.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 26367756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).