[3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

C23H29FN2O2 — CID 53150605

IUPAC[3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(CCOCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H29FN2O2/c1-25(2)22-5-3-4-20(16-22)23(27)26-13-10-18(11-14-26)12-15-28-17-19-6-8-21(24)9-7-19/h3-9,16,18H,10-15,17H2,1-2H3
InChIKeyYPACCLZMAAXCDK-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.35
Rot. Bonds7

About [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (PubChem CID 53150605) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
PubChem CID53150605
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name[3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(CCOCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H29FN2O2/c1-25(2)22-5-3-4-20(16-22)23(27)26-13-10-18(11-14-26)12-15-28-17-19-6-8-21(24)9-7-19/h3-9,16,18H,10-15,17H2,1-2H3
InChIKeyYPACCLZMAAXCDK-UHFFFAOYSA-N
XLogP4.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

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CID 22049997
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CID 2481637
1-Phenyl-4-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]benzoyl}piperazine
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Ethyl 4-[4-(4-ethoxycarbonylphenyl)piperazin-1-yl]benzoate
CID 3006258
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide
CID 22049953
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide
CID 22050036
3-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]benzamide
CID 22050120
3-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]-4-fluoro-N-methylbenzamide
CID 22050313
4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide
CID 22050621
3-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]-N-methylbenzamide
CID 22051103
Methyl 3-{[(4-benzyl-1-piperazinyl)acetyl]amino}benzoate
CID 2231830

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (CID 53150605) is [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCC(CCOCc3ccc(F)cc3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The InChIKey is YPACCLZMAAXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-25(2)22-5-3-4-20(16-22)23(27)26-13-10-18(11-14-26)12-15-28-17-19-6-8-21(24)9-7-19/h3-9,16,18H,10-15,17H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 384.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53150605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).