N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide

C27H34ClN3O3 — CID 140666405

IUPACN-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cn1c(-c2cccc(Cl)c2)cc2cc(OCCCN3CCCC(O)C3)ccc21
InChIInChI=1S/C27H34ClN3O3/c1-19(29-20(2)32)17-31-26-10-9-25(34-13-5-12-30-11-4-8-24(33)18-30)15-22(26)16-27(31)21-6-3-7-23(28)14-21/h3,6-7,9-10,14-16,19,24,33H,4-5,8,11-13,17-18H2,1-2H3,(H,29,32)
InChIKeyJPYBMNMTMUQTKU-UHFFFAOYSA-N
MW484.04 g/mol
LogP4.71
Rot. Bonds9

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

N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide (PubChem CID 140666405) has the molecular formula C27H34ClN3O3 and a molecular weight of 484.04 g/mol. Its IUPAC name is N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide
PubChem CID140666405
Molecular FormulaC27H34ClN3O3
Molecular Weight484.04 g/mol
Exact Mass483.23
IUPAC NameN-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cn1c(-c2cccc(Cl)c2)cc2cc(OCCCN3CCCC(O)C3)ccc21
InChIInChI=1S/C27H34ClN3O3/c1-19(29-20(2)32)17-31-26-10-9-25(34-13-5-12-30-11-4-8-24(33)18-30)15-22(26)16-27(31)21-6-3-7-23(28)14-21/h3,6-7,9-10,14-16,19,24,33H,4-5,8,11-13,17-18H2,1-2H3,(H,29,32)
InChIKeyJPYBMNMTMUQTKU-UHFFFAOYSA-N
XLogP4.71
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
CID 140666340
N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
CID 140666375
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
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
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
3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 61434873
2-[2-(3-chlorophenyl)-6-[3-(2-methylpyrrolidin-1-yl)propoxy]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68688604
N-[2-(3-chlorophenoxy)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896626
1-[3-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2994155
1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 55098461

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide (CID 140666405) is N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide is CC(=O)NC(C)Cn1c(-c2cccc(Cl)c2)cc2cc(OCCCN3CCCC(O)C3)ccc21.
What is the InChIKey of N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide?
The InChIKey is JPYBMNMTMUQTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O3/c1-19(29-20(2)32)17-31-26-10-9-25(34-13-5-12-30-11-4-8-24(33)18-30)15-22(26)16-27(31)21-6-3-7-23(28)14-21/h3,6-7,9-10,14-16,19,24,33H,4-5,8,11-13,17-18H2,1-2H3,(H,29,32).
What are the key properties of N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide?
N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide has a molecular weight of 484.04 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-chlorophenyl)-5-[3-(3-hydroxypiperidin-1-yl)propoxy]indol-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 140666405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).