3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide

C21H23N3O — CID 163593437

IUPAC3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C1
InChIInChI=1S/C21H23N3O/c1-24-11-3-6-19(14-24)23-21(25)18-5-2-4-15(13-18)16-7-8-20-17(12-16)9-10-22-20/h2,4-5,7-10,12-13,19,22H,3,6,11,14H2,1H3,(H,23,25)
InChIKeyGRLONXBEDVENHI-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.66
Rot. Bonds3

About 3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide

3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 163593437) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID163593437
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C1
InChIInChI=1S/C21H23N3O/c1-24-11-3-6-19(14-24)23-21(25)18-5-2-4-15(13-18)16-7-8-20-17(12-16)9-10-22-20/h2,4-5,7-10,12-13,19,22H,3,6,11,14H2,1H3,(H,23,25)
InChIKeyGRLONXBEDVENHI-UHFFFAOYSA-N
XLogP3.66
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-1H-indole-5-carboxamide
CID 91887791
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
CID 10713693
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
CID 22933430
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998661
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 100959575
N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
CID 150279764

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide (CID 163593437) is 3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(NC(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C1.
What is the InChIKey of 3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is GRLONXBEDVENHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-24-11-3-6-19(14-24)23-21(25)18-5-2-4-15(13-18)16-7-8-20-17(12-16)9-10-22-20/h2,4-5,7-10,12-13,19,22H,3,6,11,14H2,1H3,(H,23,25).
What are the key properties of 3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide?
3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 333.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 163593437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).