5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide

C33H35F2N3O2 — CID 44534092

IUPAC5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C33H35F2N3O2/c34-24-8-11-26(30(35)18-24)23-7-12-32(39)28(17-23)33(40)37-25-9-5-21(6-10-25)20-38-15-13-22(14-16-38)29-19-36-31-4-2-1-3-27(29)31/h1-4,7-8,11-12,17-19,21-22,25,36,39H,5-6,9-10,13-16,20H2,(H,37,40)
InChIKeyXOEGUKZFISYJRD-UHFFFAOYSA-N
MW543.66 g/mol
LogP6.99
Rot. Bonds6

About 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide

5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide (PubChem CID 44534092) has the molecular formula C33H35F2N3O2 and a molecular weight of 543.66 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide
PubChem CID44534092
Molecular FormulaC33H35F2N3O2
Molecular Weight543.66 g/mol
Exact Mass543.27
IUPAC Name5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C33H35F2N3O2/c34-24-8-11-26(30(35)18-24)23-7-12-32(39)28(17-23)33(40)37-25-9-5-21(6-10-25)20-38-15-13-22(14-16-38)29-19-36-31-4-2-1-3-27(29)31/h1-4,7-8,11-12,17-19,21-22,25,36,39H,5-6,9-10,13-16,20H2,(H,37,40)
InChIKeyXOEGUKZFISYJRD-UHFFFAOYSA-N
XLogP6.99
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.66
LogP ≤ 56.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]prop-2-enamide
CID 44534103
(E)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 44533929
1-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 44534372
(E)-3-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]prop-2-enamide
CID 45481428
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917
1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea
CID 5051958
5-(2-fluorophenyl)-N-piperidin-4-yl-1H-indole-3-carboxamide
CID 175283062
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate
CID 69411468
N-(2-chlorophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetamide
CID 17498519
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide?
The IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide (CID 44534092) is 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide is O=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide?
The InChIKey is XOEGUKZFISYJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F2N3O2/c34-24-8-11-26(30(35)18-24)23-7-12-32(39)28(17-23)33(40)37-25-9-5-21(6-10-25)20-38-15-13-22(14-16-38)29-19-36-31-4-2-1-3-27(29)31/h1-4,7-8,11-12,17-19,21-22,25,36,39H,5-6,9-10,13-16,20H2,(H,37,40).
What are the key properties of 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide?
5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide has a molecular weight of 543.66 g/mol, XLogP of 6.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide is sourced from PubChem (CID 44534092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).