2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

C22H24ClN3O — CID 113209558

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)cc2)CC1
InChIInChI=1S/C22H24ClN3O/c1-15-8-10-26(11-9-15)19-5-3-18(4-6-19)25-22(27)12-16-14-24-21-7-2-17(23)13-20(16)21/h2-7,13-15,24H,8-12H2,1H3,(H,25,27)
InChIKeyZUVWTMUPQNZKSS-UHFFFAOYSA-N
MW381.91 g/mol
LogP5.24
Rot. Bonds4

About 2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 113209558) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID113209558
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)cc2)CC1
InChIInChI=1S/C22H24ClN3O/c1-15-8-10-26(11-9-15)19-5-3-18(4-6-19)25-22(27)12-16-14-24-21-7-2-17(23)13-20(16)21/h2-7,13-15,24H,8-12H2,1H3,(H,25,27)
InChIKeyZUVWTMUPQNZKSS-UHFFFAOYSA-N
XLogP5.24
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.24
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

2-(5-chloro-1H-indol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 110428874
2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56559143
2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide
CID 112985524
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690935
3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559008
5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113205913
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109010555
methyl 3-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
CID 110424175
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991879

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 113209558) is 2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is CC1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)cc2)CC1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is ZUVWTMUPQNZKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-15-8-10-26(11-9-15)19-5-3-18(4-6-19)25-22(27)12-16-14-24-21-7-2-17(23)13-20(16)21/h2-7,13-15,24H,8-12H2,1H3,(H,25,27).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 381.91 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 113209558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).