1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol

C29H30N4O3 — CID 135794314

IUPAC1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
SMILESCc1nnc(-c2cc3c(OCC(O)CN4CCC(c5ccc6ccccc6c5)CC4)cccc3[nH]2)o1
InChIInChI=1S/C29H30N4O3/c1-19-31-32-29(36-19)27-16-25-26(30-27)7-4-8-28(25)35-18-24(34)17-33-13-11-21(12-14-33)23-10-9-20-5-2-3-6-22(20)15-23/h2-10,15-16,21,24,30,34H,11-14,17-18H2,1H3
InChIKeyDAJUMPMBDXEXRG-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.30
Rot. Bonds7

About 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol

1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol (PubChem CID 135794314) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
PubChem CID135794314
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
SMILESCc1nnc(-c2cc3c(OCC(O)CN4CCC(c5ccc6ccccc6c5)CC4)cccc3[nH]2)o1
InChIInChI=1S/C29H30N4O3/c1-19-31-32-29(36-19)27-16-25-26(30-27)7-4-8-28(25)35-18-24(34)17-33-13-11-21(12-14-33)23-10-9-20-5-2-3-6-22(20)15-23/h2-10,15-16,21,24,30,34H,11-14,17-18H2,1H3
InChIKeyDAJUMPMBDXEXRG-UHFFFAOYSA-N
XLogP5.30
TPSA87.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075
1-[[2-(1-hydroxyethyl)-1-benzofuran-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
CID 22729129
[4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 22729278
1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indol-4-yl]oxy]propan-2-ol
CID 135600684
(2S)-1-[4-(3,4-dimethylphenyl)piperidin-1-yl]-3-[[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306452
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306533
ethyl 7-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;7-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylic acid;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-methylindole-2-carboxylic acid
CID 158935150
1-[(2S)-2-hydroxy-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propyl]-4-naphthalen-2-ylpiperidin-4-ol;hydrochloride
CID 69497881
(C-methylsulfanylcarbonimidoyl) 4-[(2R)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboximidate
CID 142029351
1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol
CID 10229906
(2S)-1-[4-(3,4-dimethylphenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3-oxazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 58825300
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide
CID 22729214

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol (CID 135794314) is 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol is Cc1nnc(-c2cc3c(OCC(O)CN4CCC(c5ccc6ccccc6c5)CC4)cccc3[nH]2)o1.
What is the InChIKey of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol?
The InChIKey is DAJUMPMBDXEXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-19-31-32-29(36-19)27-16-25-26(30-27)7-4-8-28(25)35-18-24(34)17-33-13-11-21(12-14-33)23-10-9-20-5-2-3-6-22(20)15-23/h2-10,15-16,21,24,30,34H,11-14,17-18H2,1H3.
What are the key properties of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol?
1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol has a molecular weight of 482.58 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 135794314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).