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

C22H25N3O — CID 112985524

IUPAC2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCCN(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C22H25N3O/c1-16-5-4-12-25(15-16)19-10-8-18(9-11-19)24-22(26)13-17-14-23-21-7-3-2-6-20(17)21/h2-3,6-11,14,16,23H,4-5,12-13,15H2,1H3,(H,24,26)
InChIKeyBYEJUTHUDYEVDK-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.59
Rot. Bonds4

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

2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 112985524) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID112985524
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCCN(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C22H25N3O/c1-16-5-4-12-25(15-16)19-10-8-18(9-11-19)24-22(26)13-17-14-23-21-7-3-2-6-20(17)21/h2-3,6-11,14,16,23H,4-5,12-13,15H2,1H3,(H,24,26)
InChIKeyBYEJUTHUDYEVDK-UHFFFAOYSA-N
XLogP4.59
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559008
2-(1H-indol-3-yl)-N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637394
2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113209558
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
1-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-3-phenylurea
CID 56923040
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 112986190
2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide
CID 110743293
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 100637147
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 131909124
2-(1H-indol-3-yl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090431

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide (CID 112985524) is 2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide is CC1CCCN(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is BYEJUTHUDYEVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-5-4-12-25(15-16)19-10-8-18(9-11-19)24-22(26)13-17-14-23-21-7-3-2-6-20(17)21/h2-3,6-11,14,16,23H,4-5,12-13,15H2,1H3,(H,24,26).
What are the key properties of 2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide?
2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 112985524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).