N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide

C18H25N3O2 — CID 26406442

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESCc1[nH]c2ccc(CNC(=O)CN3CCC(O)CC3)cc2c1C
InChIInChI=1S/C18H25N3O2/c1-12-13(2)20-17-4-3-14(9-16(12)17)10-19-18(23)11-21-7-5-15(22)6-8-21/h3-4,9,15,20,22H,5-8,10-11H2,1-2H3,(H,19,23)
InChIKeyJVKVZQJROSUHEP-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.86
Rot. Bonds4

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide (PubChem CID 26406442) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
PubChem CID26406442
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESCc1[nH]c2ccc(CNC(=O)CN3CCC(O)CC3)cc2c1C
InChIInChI=1S/C18H25N3O2/c1-12-13(2)20-17-4-3-14(9-16(12)17)10-19-18(23)11-21-7-5-15(22)6-8-21/h3-4,9,15,20,22H,5-8,10-11H2,1-2H3,(H,19,23)
InChIKeyJVKVZQJROSUHEP-UHFFFAOYSA-N
XLogP1.86
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
CID 95563368
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 124942272
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 119754604
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 48597038
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 95092760
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937973
(2S)-1-[2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-oxoethyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 124969174
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55132319
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 111334072
2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110898342
2-(4-hydroxypiperidin-1-yl)-N-[(2-piperazin-1-yl-4-pyridinyl)methyl]acetamide
CID 167927821

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide (CID 26406442) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide is Cc1[nH]c2ccc(CNC(=O)CN3CCC(O)CC3)cc2c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The InChIKey is JVKVZQJROSUHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-13(2)20-17-4-3-14(9-16(12)17)10-19-18(23)11-21-7-5-15(22)6-8-21/h3-4,9,15,20,22H,5-8,10-11H2,1-2H3,(H,19,23).
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 26406442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).