3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide

C32H36FN3O3 — CID 171685573

IUPAC3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide
SMILESO=C(CCOc1ccc(F)cc1)Nc1ccc(C2CCN(C(=O)C3CCN(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C32H36FN3O3/c33-27-8-12-30(13-9-27)39-23-18-31(37)34-28-10-6-24(7-11-28)25-14-21-36(22-15-25)32(38)26-16-19-35(20-17-26)29-4-2-1-3-5-29/h1-13,25-26H,14-23H2,(H,34,37)
InChIKeyOTSLWDLVMPRYQQ-UHFFFAOYSA-N
MW529.66 g/mol
LogP5.86
Rot. Bonds8

About 3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide

3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide (PubChem CID 171685573) has the molecular formula C32H36FN3O3 and a molecular weight of 529.66 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide
PubChem CID171685573
Molecular FormulaC32H36FN3O3
Molecular Weight529.66 g/mol
Exact Mass529.27
IUPAC Name3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide
SMILESO=C(CCOc1ccc(F)cc1)Nc1ccc(C2CCN(C(=O)C3CCN(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C32H36FN3O3/c33-27-8-12-30(13-9-27)39-23-18-31(37)34-28-10-6-24(7-11-28)25-14-21-36(22-15-25)32(38)26-16-19-35(20-17-26)29-4-2-1-3-5-29/h1-13,25-26H,14-23H2,(H,34,37)
InChIKeyOTSLWDLVMPRYQQ-UHFFFAOYSA-N
XLogP5.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.66
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 44765669
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55966112
3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide
CID 171681569
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808
N-(2,6-dichlorophenyl)-4-[4-(3-phenoxypropanoylamino)phenyl]piperazine-1-carboxamide
CID 58258409
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
CID 110601077
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 134005471

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide (CID 171685573) is 3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide is O=C(CCOc1ccc(F)cc1)Nc1ccc(C2CCN(C(=O)C3CCN(c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide?
The InChIKey is OTSLWDLVMPRYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O3/c33-27-8-12-30(13-9-27)39-23-18-31(37)34-28-10-6-24(7-11-28)25-14-21-36(22-15-25)32(38)26-16-19-35(20-17-26)29-4-2-1-3-5-29/h1-13,25-26H,14-23H2,(H,34,37).
What are the key properties of 3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide?
3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide has a molecular weight of 529.66 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 171685573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).