N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide

C21H23N3O2 — CID 110901916

IUPACN-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccccc3N3CCC(O)CC3)[nH]c2c1
InChIInChI=1S/C21H23N3O2/c1-14-6-7-15-13-19(22-18(15)12-14)21(26)23-17-4-2-3-5-20(17)24-10-8-16(25)9-11-24/h2-7,12-13,16,22,25H,8-11H2,1H3,(H,23,26)
InChIKeyRUWWFHBAOPSOSC-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.69
Rot. Bonds3

About N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 110901916) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID110901916
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccccc3N3CCC(O)CC3)[nH]c2c1
InChIInChI=1S/C21H23N3O2/c1-14-6-7-15-13-19(22-18(15)12-14)21(26)23-17-4-2-3-5-20(17)24-10-8-16(25)9-11-24/h2-7,12-13,16,22,25H,8-11H2,1H3,(H,23,26)
InChIKeyRUWWFHBAOPSOSC-UHFFFAOYSA-N
XLogP3.69
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-6-methyl-1H-indole-2-carboxamide
CID 110885323
N-(2-ethoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207367
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 110900176
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 111537095
N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 47064281
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 110900182
2-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 110900198
5-chloro-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113207247
N-(2-chloro-4-methylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 52704908
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 110903804
5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide
CID 86877934

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide (CID 110901916) is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)Nc3ccccc3N3CCC(O)CC3)[nH]c2c1.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is RUWWFHBAOPSOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-6-7-15-13-19(22-18(15)12-14)21(26)23-17-4-2-3-5-20(17)24-10-8-16(25)9-11-24/h2-7,12-13,16,22,25H,8-11H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide?
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 110901916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).