2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide

C16H21N3O — CID 100959575

IUPAC2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)Cc2cccc3[nH]ccc23)C1
InChIInChI=1S/C16H21N3O/c1-19-9-3-5-13(11-19)18-16(20)10-12-4-2-6-15-14(12)7-8-17-15/h2,4,6-8,13,17H,3,5,9-11H2,1H3,(H,18,20)
InChIKeyFSUJHLWAZFXVLW-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.92
Rot. Bonds3

About 2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide

2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide (PubChem CID 100959575) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide
PubChem CID100959575
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)Cc2cccc3[nH]ccc23)C1
InChIInChI=1S/C16H21N3O/c1-19-9-3-5-13(11-19)18-16(20)10-12-4-2-6-15-14(12)7-8-17-15/h2,4,6-8,13,17H,3,5,9-11H2,1H3,(H,18,20)
InChIKeyFSUJHLWAZFXVLW-UHFFFAOYSA-N
XLogP1.92
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
N-cyclopropyl-2-(1H-indol-4-ylmethylamino)acetamide
CID 63000574
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide
CID 110473699
3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide
CID 163593437
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 28731376
1-cyclohexyl-3-(1H-indol-4-yl)urea
CID 110748828
[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol
CID 119128688
2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 104917016
2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide
CID 92604271

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide (CID 100959575) is 2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide is CN1CCCC(NC(=O)Cc2cccc3[nH]ccc23)C1.
What is the InChIKey of 2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide?
The InChIKey is FSUJHLWAZFXVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-9-3-5-13(11-19)18-16(20)10-12-4-2-6-15-14(12)7-8-17-15/h2,4,6-8,13,17H,3,5,9-11H2,1H3,(H,18,20).
What are the key properties of 2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide?
2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 100959575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).