3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide

C21H21Cl2N3O — CID 22611201

IUPAC3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc23)CC1
InChIInChI=1S/C21H21Cl2N3O/c1-26-6-4-13(5-7-26)19-12-24-20-3-2-17(11-18(19)20)25-21(27)14-8-15(22)10-16(23)9-14/h2-3,8-13,24H,4-7H2,1H3,(H,25,27)
InChIKeyAUEGQOJAUAZTFS-UHFFFAOYSA-N
MW402.33 g/mol
LogP5.54
Rot. Bonds3

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

3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide (PubChem CID 22611201) has the molecular formula C21H21Cl2N3O and a molecular weight of 402.33 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
PubChem CID22611201
Molecular FormulaC21H21Cl2N3O
Molecular Weight402.33 g/mol
Exact Mass401.11
IUPAC Name3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc23)CC1
InChIInChI=1S/C21H21Cl2N3O/c1-26-6-4-13(5-7-26)19-12-24-20-3-2-17(11-18(19)20)25-21(27)14-8-15(22)10-16(23)9-14/h2-3,8-13,24H,4-7H2,1H3,(H,25,27)
InChIKeyAUEGQOJAUAZTFS-UHFFFAOYSA-N
XLogP5.54
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.33
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611451
(E)-but-2-enedioic acid;3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611180
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
4-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzenecarbothioamide
CID 140998243
(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 22611431
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 54306354
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
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide
CID 54567819
N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide
CID 118865696
N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide
CID 118865652

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide (CID 22611201) is 3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide is CN1CCC(c2c[nH]c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc23)CC1.
What is the InChIKey of 3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
The InChIKey is AUEGQOJAUAZTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O/c1-26-6-4-13(5-7-26)19-12-24-20-3-2-17(11-18(19)20)25-21(27)14-8-15(22)10-16(23)9-14/h2-3,8-13,24H,4-7H2,1H3,(H,25,27).
What are the key properties of 3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide has a molecular weight of 402.33 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide is sourced from PubChem (CID 22611201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).