2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide

C22H25N3O2 — CID 22611451

IUPAC2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C22H25N3O2/c1-25-11-9-15(10-12-25)19-14-23-20-8-7-16(13-18(19)20)24-22(26)17-5-3-4-6-21(17)27-2/h3-8,13-15,23H,9-12H2,1-2H3,(H,24,26)
InChIKeyABAFNSNSPFQOKD-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.24
Rot. Bonds4

About 2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide

2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide (PubChem CID 22611451) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
PubChem CID22611451
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C22H25N3O2/c1-25-11-9-15(10-12-25)19-14-23-20-8-7-16(13-18(19)20)24-22(26)17-5-3-4-6-21(17)27-2/h3-8,13-15,23H,9-12H2,1-2H3,(H,24,26)
InChIKeyABAFNSNSPFQOKD-UHFFFAOYSA-N
XLogP4.24
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 22611431
(E)-but-2-enedioic acid;3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611180
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
4-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzenecarbothioamide
CID 140998243
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39849933
1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174406878
(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414942
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
The IUPAC name of 2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide (CID 22611451) is 2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide is COc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.
What is the InChIKey of 2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
The InChIKey is ABAFNSNSPFQOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-25-11-9-15(10-12-25)19-14-23-20-8-7-16(13-18(19)20)24-22(26)17-5-3-4-6-21(17)27-2/h3-8,13-15,23H,9-12H2,1-2H3,(H,24,26).
What are the key properties of 2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide is sourced from PubChem (CID 22611451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).