2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide

C29H31FN4O2 — CID 71151591

IUPAC2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccccc2F)CC1
InChIInChI=1S/C29H31FN4O2/c30-25-9-3-1-7-22(25)21-34-15-13-23-26(10-5-11-27(23)34)33-18-16-32(17-19-33)14-6-20-36-28-12-4-2-8-24(28)29(31)35/h1-5,7-13,15H,6,14,16-21H2,(H2,31,35)
InChIKeyUPCMRVZQJLKQQG-UHFFFAOYSA-N
MW486.59 g/mol
LogP4.52
Rot. Bonds9

About 2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide

2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide (PubChem CID 71151591) has the molecular formula C29H31FN4O2 and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide.

Molecular Properties

Compound Name2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
PubChem CID71151591
Molecular FormulaC29H31FN4O2
Molecular Weight486.59 g/mol
Exact Mass486.24
IUPAC Name2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccccc2F)CC1
InChIInChI=1S/C29H31FN4O2/c30-25-9-3-1-7-22(25)21-34-15-13-23-26(10-5-11-27(23)34)33-18-16-32(17-19-33)14-6-20-36-28-12-4-2-8-24(28)29(31)35/h1-5,7-13,15H,6,14,16-21H2,(H2,31,35)
InChIKeyUPCMRVZQJLKQQG-UHFFFAOYSA-N
XLogP4.52
TPSA63.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-[1-(Benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide
CID 71151588
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546
4-phenylmethoxy-N-quinolin-5-ylbenzamide
CID 1017989
2-{2-[4-(1-cyclopropylmethyl-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethoxy}benzoic acid
CID 9932752
2-(2-(4-(1-(2-ethoxyethyl)-6-fluoro-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
CID 11293983
2-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)-6-fluorobenzoic acid
CID 11328514
2-(2-(4-(1-(2-ethoxyethyl)-5-fluoro-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
CID 11396873
[1-Phenyl-2-(2-methyl-phenoxy)-1h-pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-yl-methanone
CID 44158681
[2-(5-Fluoro-2-methylphenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 44158792
[2-(3-Fluoro-2-methylphenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 44158793
[2-(2-Fluoro-6-methylphenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 44158794
[2-(5-Fluoro-2-methyl-phenoxy)-1-phenyl-1H-pyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 44158906

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide?
The IUPAC name of 2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide (CID 71151591) is 2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide.
What is the SMILES notation for 2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide?
The canonical SMILES for 2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide is NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccccc2F)CC1.
What is the InChIKey of 2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide?
The InChIKey is UPCMRVZQJLKQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O2/c30-25-9-3-1-7-22(25)21-34-15-13-23-26(10-5-11-27(23)34)33-18-16-32(17-19-33)14-6-20-36-28-12-4-2-8-24(28)29(31)35/h1-5,7-13,15H,6,14,16-21H2,(H2,31,35).
What are the key properties of 2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide?
2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide has a molecular weight of 486.59 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide is sourced from PubChem (CID 71151591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).