2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol

C29H34N4O2 — CID 46841569

IUPAC2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol
SMILESOC(CN1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C29H34N4O2/c34-27(20-32-14-10-21(11-15-32)25-18-30-26-9-5-4-8-24(25)26)22-12-16-33(17-13-22)29-31-19-28(35-29)23-6-2-1-3-7-23/h1-9,18-19,21-22,27,30,34H,10-17,20H2
InChIKeyULIIGUGHLXILSV-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.28
Rot. Bonds6

About 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol

2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol (PubChem CID 46841569) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol
PubChem CID46841569
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol
SMILESOC(CN1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C29H34N4O2/c34-27(20-32-14-10-21(11-15-32)25-18-30-26-9-5-4-8-24(25)26)22-12-16-33(17-13-22)29-31-19-28(35-29)23-6-2-1-3-7-23/h1-9,18-19,21-22,27,30,34H,10-17,20H2
InChIKeyULIIGUGHLXILSV-UHFFFAOYSA-N
XLogP5.28
TPSA68.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol with MolForge

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Related Compounds

1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol
CID 23392120
(2R)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 125145329
4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol
CID 58950812
1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone
CID 17437228
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 70491898
methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate
CID 56634055
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
CID 134100949
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol (CID 46841569) is 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol is OC(CN1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(c2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol?
The InChIKey is ULIIGUGHLXILSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c34-27(20-32-14-10-21(11-15-32)25-18-30-26-9-5-4-8-24(25)26)22-12-16-33(17-13-22)29-31-19-28(35-29)23-6-2-1-3-7-23/h1-9,18-19,21-22,27,30,34H,10-17,20H2.
What are the key properties of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol?
2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol has a molecular weight of 470.62 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 46841569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).