[1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C29H41FN2O2 — CID 67697538

IUPAC[1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCCCCN(CCCC)c1cccc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C29H41FN2O2/c1-3-5-18-32(19-6-4-2)27-9-7-10-28(23-27)34-22-8-17-31-20-15-25(16-21-31)29(33)24-11-13-26(30)14-12-24/h7,9-14,23,25H,3-6,8,15-22H2,1-2H3
InChIKeyGPMXFHDQPXEKBF-UHFFFAOYSA-N
MW468.66 g/mol
LogP6.60
Rot. Bonds14

About [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 67697538) has the molecular formula C29H41FN2O2 and a molecular weight of 468.66 g/mol. Its IUPAC name is [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID67697538
Molecular FormulaC29H41FN2O2
Molecular Weight468.66 g/mol
Exact Mass468.32
IUPAC Name[1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCCCCN(CCCC)c1cccc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C29H41FN2O2/c1-3-5-18-32(19-6-4-2)27-9-7-10-28(23-27)34-22-8-17-31-20-15-25(16-21-31)29(33)24-11-13-26(30)14-12-24/h7,9-14,23,25H,3-6,8,15-22H2,1-2H3
InChIKeyGPMXFHDQPXEKBF-UHFFFAOYSA-N
XLogP6.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone 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

[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide
CID 67670711
[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67697649
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide
CID 19689829
bis[[1-[3-(3-acetylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methyl] oxalate
CID 88615259
CID 174952895
CID 174952895
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone
CID 55648666
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 15290380
1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 43441464

Frequently Asked Questions

What is the IUPAC name of [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 67697538) is [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone is CCCCN(CCCC)c1cccc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is GPMXFHDQPXEKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41FN2O2/c1-3-5-18-32(19-6-4-2)27-9-7-10-28(23-27)34-22-8-17-31-20-15-25(16-21-31)29(33)24-11-13-26(30)14-12-24/h7,9-14,23,25H,3-6,8,15-22H2,1-2H3.
What are the key properties of [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 468.66 g/mol, XLogP of 6.60, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 67697538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).