4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide

C27H32FN3O2 — CID 45221830

IUPAC4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCC(NCCC(c3ccc(F)cc3)c3ccco3)CC2)cc1
InChIInChI=1S/C27H32FN3O2/c1-30(2)27(32)21-7-11-24(12-8-21)31-17-14-23(15-18-31)29-16-13-25(26-4-3-19-33-26)20-5-9-22(28)10-6-20/h3-12,19,23,25,29H,13-18H2,1-2H3
InChIKeyQJRSUDDVJPUSPQ-UHFFFAOYSA-N
MW449.57 g/mol
LogP4.90
Rot. Bonds8

About 4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide

4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide (PubChem CID 45221830) has the molecular formula C27H32FN3O2 and a molecular weight of 449.57 g/mol. Its IUPAC name is 4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide
PubChem CID45221830
Molecular FormulaC27H32FN3O2
Molecular Weight449.57 g/mol
Exact Mass449.25
IUPAC Name4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCC(NCCC(c3ccc(F)cc3)c3ccco3)CC2)cc1
InChIInChI=1S/C27H32FN3O2/c1-30(2)27(32)21-7-11-24(12-8-21)31-17-14-23(15-18-31)29-16-13-25(26-4-3-19-33-26)20-5-9-22(28)10-6-20/h3-12,19,23,25,29H,13-18H2,1-2H3
InChIKeyQJRSUDDVJPUSPQ-UHFFFAOYSA-N
XLogP4.90
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide
CID 131949654
2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide
CID 124847066
N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide
CID 42451656
4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide
CID 126809247
N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide
CID 45177868
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]acetamide
CID 7162857
N-cyclopentyl-4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]benzamide
CID 42434130
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide
CID 2047970
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 7162865
N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 16809859
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide (CID 45221830) is 4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N2CCC(NCCC(c3ccc(F)cc3)c3ccco3)CC2)cc1.
What is the InChIKey of 4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide?
The InChIKey is QJRSUDDVJPUSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O2/c1-30(2)27(32)21-7-11-24(12-8-21)31-17-14-23(15-18-31)29-16-13-25(26-4-3-19-33-26)20-5-9-22(28)10-6-20/h3-12,19,23,25,29H,13-18H2,1-2H3.
What are the key properties of 4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide?
4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide has a molecular weight of 449.57 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 45221830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).