furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone

C29H34N2O3 — CID 42501418

IUPACfuran-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC[C@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1
InChIInChI=1S/C29H34N2O3/c32-29(28-9-5-19-33-28)31-16-4-6-24(21-31)22-34-27-12-10-23(11-13-27)20-30-17-14-26(15-18-30)25-7-2-1-3-8-25/h1-3,5,7-13,19,24,26H,4,6,14-18,20-22H2/t24-/m0/s1
InChIKeyCGAKWVWNTOWMGA-DEOSSOPVSA-N
MW458.60 g/mol
LogP5.59
Rot. Bonds7

About furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone

furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 42501418) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID42501418
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Namefuran-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC[C@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1
InChIInChI=1S/C29H34N2O3/c32-29(28-9-5-19-33-28)31-16-4-6-24(21-31)22-34-27-12-10-23(11-13-27)20-30-17-14-26(15-18-30)25-7-2-1-3-8-25/h1-3,5,7-13,19,24,26H,4,6,14-18,20-22H2/t24-/m0/s1
InChIKeyCGAKWVWNTOWMGA-DEOSSOPVSA-N
XLogP5.59
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 45207969
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
ethyl 4-[[4-[[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26321044
ethyl 4-[[4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26321048
[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125158523
[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125158524
[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 42500399
(3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42452488
4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097972
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971294

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone (CID 42501418) is furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC[C@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1.
What is the InChIKey of furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is CGAKWVWNTOWMGA-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H34N2O3/c32-29(28-9-5-19-33-28)31-16-4-6-24(21-31)22-34-27-12-10-23(11-13-27)20-30-17-14-26(15-18-30)25-7-2-1-3-8-25/h1-3,5,7-13,19,24,26H,4,6,14-18,20-22H2/t24-/m0/s1.
What are the key properties of furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone?
furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone has a molecular weight of 458.60 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42501418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).