3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one

C30H34F3N3O2 — CID 69407582

IUPAC3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one
SMILESO=C(C=CN1CCC(CC(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C30H34F3N3O2/c31-26-16-22(17-27(32)30(26)33)29(38)9-12-35-10-5-20(6-11-35)15-23(19-37)36-13-7-21(8-14-36)25-18-34-28-4-2-1-3-24(25)28/h1-4,9,12,16-18,20-21,23,34,37H,5-8,10-11,13-15,19H2
InChIKeyJYVJPWZPEDJYOY-UHFFFAOYSA-N
MW525.62 g/mol
LogP5.62
Rot. Bonds8

About 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one

3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one (PubChem CID 69407582) has the molecular formula C30H34F3N3O2 and a molecular weight of 525.62 g/mol. Its IUPAC name is 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one
PubChem CID69407582
Molecular FormulaC30H34F3N3O2
Molecular Weight525.62 g/mol
Exact Mass525.26
IUPAC Name3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one
SMILESO=C(C=CN1CCC(CC(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C30H34F3N3O2/c31-26-16-22(17-27(32)30(26)33)29(38)9-12-35-10-5-20(6-11-35)15-23(19-37)36-13-7-21(8-14-36)25-18-34-28-4-2-1-3-24(25)28/h1-4,9,12,16-18,20-21,23,34,37H,5-8,10-11,13-15,19H2
InChIKeyJYVJPWZPEDJYOY-UHFFFAOYSA-N
XLogP5.62
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.62
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one 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-[4-[1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one
CID 69402586
3-[4-[2,3-dihydroxypropyl-[4-(1H-indol-3-yl)piperidin-1-yl]amino]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one
CID 67080706
2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[N'-(3,4,5-trifluorobenzoyl)carbamimidoyl]piperidin-4-yl]acetic acid
CID 11678289
1-(3-chloro-5-fluorophenyl)-3-[4-hydroxy-4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one
CID 69417880
tert-butyl 4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidine-1-carboxylate;dichloromethane;1,1,1,4,4,4-hexafluorobutane-2,3-dione;2-[4-(1H-indol-3-yl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-ol
CID 159790682
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]ethyl]formamide
CID 154193945
(E)-1-(3,4-dichlorophenyl)-3-[4-[1-[3-(1H-indol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]prop-2-en-1-one
CID 70167298
1-(3,5-difluorophenyl)-3-[4-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxypiperidin-1-yl]prop-2-en-1-one
CID 69415912
(E)-1-(2-chlorophenyl)-3-[4-[[4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 70167595
2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 58617626
(E)-1-[4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 11606147
4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 54306354

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one?
The IUPAC name of 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one (CID 69407582) is 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one.
What is the SMILES notation for 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one?
The canonical SMILES for 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one is O=C(C=CN1CCC(CC(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one?
The InChIKey is JYVJPWZPEDJYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N3O2/c31-26-16-22(17-27(32)30(26)33)29(38)9-12-35-10-5-20(6-11-35)15-23(19-37)36-13-7-21(8-14-36)25-18-34-28-4-2-1-3-24(25)28/h1-4,9,12,16-18,20-21,23,34,37H,5-8,10-11,13-15,19H2.
What are the key properties of 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one?
3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one has a molecular weight of 525.62 g/mol, XLogP of 5.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]-1-(3,4,5-trifluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 69407582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).