N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide

C27H34ClN3O2 — CID 140666340

IUPACN-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cn1c(-c2cccc(Cl)c2)cc2cc(OCCCN3CCCCC3)ccc21
InChIInChI=1S/C27H34ClN3O2/c1-20(29-21(2)32)19-31-26-11-10-25(33-15-7-14-30-12-4-3-5-13-30)17-23(26)18-27(31)22-8-6-9-24(28)16-22/h6,8-11,16-18,20H,3-5,7,12-15,19H2,1-2H3,(H,29,32)
InChIKeyLPPFIRFNRZCTRY-UHFFFAOYSA-N
MW468.04 g/mol
LogP5.74
Rot. Bonds9

About N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide

N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide (PubChem CID 140666340) has the molecular formula C27H34ClN3O2 and a molecular weight of 468.04 g/mol. Its IUPAC name is N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
PubChem CID140666340
Molecular FormulaC27H34ClN3O2
Molecular Weight468.04 g/mol
Exact Mass467.23
IUPAC NameN-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cn1c(-c2cccc(Cl)c2)cc2cc(OCCCN3CCCCC3)ccc21
InChIInChI=1S/C27H34ClN3O2/c1-20(29-21(2)32)19-31-26-11-10-25(33-15-7-14-30-12-4-3-5-13-30)17-23(26)18-27(31)22-8-6-9-24(28)16-22/h6,8-11,16-18,20H,3-5,7,12-15,19H2,1-2H3,(H,29,32)
InChIKeyLPPFIRFNRZCTRY-UHFFFAOYSA-N
XLogP5.74
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.04
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(3-chlorophenyl)-5-[3-(4-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide
CID 140666329
N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide
CID 140666405
N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
CID 140666375
N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-piperidin-1-ylpropoxy)benzimidazol-1-yl]propan-2-yl]acetamide;hydrochloride
CID 140666363
N-[1-[2-(3-chloro-4-fluorophenyl)-5-(4-piperidin-1-ylbutoxy)benzimidazol-1-yl]propan-2-yl]acetamide
CID 140666407
1-[2-(3-chlorophenyl)-5-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propoxy]indol-1-yl]-4-methylpentan-2-one
CID 159485846
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole
CID 15925641
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride
CID 68994202
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide (CID 140666340) is N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide is CC(=O)NC(C)Cn1c(-c2cccc(Cl)c2)cc2cc(OCCCN3CCCCC3)ccc21.
What is the InChIKey of N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide?
The InChIKey is LPPFIRFNRZCTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O2/c1-20(29-21(2)32)19-31-26-11-10-25(33-15-7-14-30-12-4-3-5-13-30)17-23(26)18-27(31)22-8-6-9-24(28)16-22/h6,8-11,16-18,20H,3-5,7,12-15,19H2,1-2H3,(H,29,32).
What are the key properties of N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide?
N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide has a molecular weight of 468.04 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 140666340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).