4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide

C26H33N3O4 — CID 154004811

IUPAC4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(OCC(O)CN3CCC(COc4ccccc4)CC3)cccc2[nH]1
InChIInChI=1S/C26H33N3O4/c1-28(2)26(31)24-15-22-23(27-24)9-6-10-25(22)33-18-20(30)16-29-13-11-19(12-14-29)17-32-21-7-4-3-5-8-21/h3-10,15,19-20,27,30H,11-14,16-18H2,1-2H3
InChIKeyXVPPRVVPXQTJJM-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.40
Rot. Bonds9

About 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide

4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 154004811) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID154004811
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(OCC(O)CN3CCC(COc4ccccc4)CC3)cccc2[nH]1
InChIInChI=1S/C26H33N3O4/c1-28(2)26(31)24-15-22-23(27-24)9-6-10-25(22)33-18-20(30)16-29-13-11-19(12-14-29)17-32-21-7-4-3-5-8-21/h3-10,15,19-20,27,30H,11-14,16-18H2,1-2H3
InChIKeyXVPPRVVPXQTJJM-UHFFFAOYSA-N
XLogP3.40
TPSA78.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid
CID 21327275
benzoic acid;1-[[2-(hydroxymethyl)-1H-indol-4-yl]oxy]-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol
CID 21327281
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075
4-[2-hydroxy-3-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydrobenzimidazol-2-one
CID 20570842
[4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 22729278
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162317183
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162308822
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide
CID 22729214
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid
CID 172763054
4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol
CID 152625181
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
4-(cyclobutylmethoxy)-N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(cyclobutylmethoxy)-1H-indole-2-carboxylic acid
CID 158124989

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide (CID 154004811) is 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2c(OCC(O)CN3CCC(COc4ccccc4)CC3)cccc2[nH]1.
What is the InChIKey of 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is XVPPRVVPXQTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-28(2)26(31)24-15-22-23(27-24)9-6-10-25(22)33-18-20(30)16-29-13-11-19(12-14-29)17-32-21-7-4-3-5-8-21/h3-10,15,19-20,27,30H,11-14,16-18H2,1-2H3.
What are the key properties of 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide?
4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 154004811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).