[(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone

C28H28N2O2 — CID 67913282

IUPAC[(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1CN(CCc2c[nH]c3ccccc23)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C28H28N2O2/c31-27(21-9-3-1-4-10-21)25-20-30(18-16-28(25,32)23-11-5-2-6-12-23)17-15-22-19-29-26-14-8-7-13-24(22)26/h1-14,19,25,29,32H,15-18,20H2/t25-,28+/m1/s1
InChIKeyDYIKBTVCEKMQAD-NAKRPHOHSA-N
MW424.54 g/mol
LogP4.80
Rot. Bonds6

About [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone

[(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone (PubChem CID 67913282) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
PubChem CID67913282
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name[(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1CN(CCc2c[nH]c3ccccc23)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C28H28N2O2/c31-27(21-9-3-1-4-10-21)25-20-30(18-16-28(25,32)23-11-5-2-6-12-23)17-15-22-19-29-26-14-8-7-13-24(22)26/h1-14,19,25,29,32H,15-18,20H2/t25-,28+/m1/s1
InChIKeyDYIKBTVCEKMQAD-NAKRPHOHSA-N
XLogP4.80
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone 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

3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016630
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
1-(1H-indol-3-ylmethyl)-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 57445854
4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol
CID 171913881
1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrobromide
CID 76851298
[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
CID 70459591
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone?
The IUPAC name of [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone (CID 67913282) is [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone?
The canonical SMILES for [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1CN(CCc2c[nH]c3ccccc23)CC[C@]1(O)c1ccccc1.
What is the InChIKey of [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone?
The InChIKey is DYIKBTVCEKMQAD-NAKRPHOHSA-N. The full InChI is InChI=1S/C28H28N2O2/c31-27(21-9-3-1-4-10-21)25-20-30(18-16-28(25,32)23-11-5-2-6-12-23)17-15-22-19-29-26-14-8-7-13-24(22)26/h1-14,19,25,29,32H,15-18,20H2/t25-,28+/m1/s1.
What are the key properties of [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone?
[(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone has a molecular weight of 424.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone is sourced from PubChem (CID 67913282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).