2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide

C22H30ClN3O2 — CID 155541261

IUPAC2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide
SMILESCc1c(CC(=O)NC2CCCC2)c2cc(Cl)ccc2n1CCN1CCOCC1
InChIInChI=1S/C22H30ClN3O2/c1-16-19(15-22(27)24-18-4-2-3-5-18)20-14-17(23)6-7-21(20)26(16)9-8-25-10-12-28-13-11-25/h6-7,14,18H,2-5,8-13,15H2,1H3,(H,24,27)
InChIKeyKLTNAMOTPCREBR-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.54
Rot. Bonds6

About 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide

2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide (PubChem CID 155541261) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide
PubChem CID155541261
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide
SMILESCc1c(CC(=O)NC2CCCC2)c2cc(Cl)ccc2n1CCN1CCOCC1
InChIInChI=1S/C22H30ClN3O2/c1-16-19(15-22(27)24-18-4-2-3-5-18)20-14-17(23)6-7-21(20)26(16)9-8-25-10-12-28-13-11-25/h6-7,14,18H,2-5,8-13,15H2,1H3,(H,24,27)
InChIKeyKLTNAMOTPCREBR-UHFFFAOYSA-N
XLogP3.54
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
5-Chloro-1H-indole-2-carboxylic acid {[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide
CID 657108
1-[(3-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801045
1-Benzyl-4-{3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propionyl}-piperazin-2-one
CID 18669080
1-(4-Benzyl-piperazin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 18669091
1-(4-chlorophenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801082
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclopropylmethyl-piperazin-1-yl)-propan-1-one
CID 44333607
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclohexyl-piperazin-1-yl)-propan-1-one
CID 44334149
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-[4-(3-methyl-butyl)-piperazin-1-yl]-propan-1-one
CID 44334275
1-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]piperidine-4-carboxamide
CID 4619062
ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate
CID 4894334
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
CID 3995234

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide (CID 155541261) is 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide is Cc1c(CC(=O)NC2CCCC2)c2cc(Cl)ccc2n1CCN1CCOCC1.
What is the InChIKey of 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide?
The InChIKey is KLTNAMOTPCREBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O2/c1-16-19(15-22(27)24-18-4-2-3-5-18)20-14-17(23)6-7-21(20)26(16)9-8-25-10-12-28-13-11-25/h6-7,14,18H,2-5,8-13,15H2,1H3,(H,24,27).
What are the key properties of 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide?
2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide has a molecular weight of 403.95 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 155541261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).