[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone

C30H36N2O3 — CID 42500399

IUPAC[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@@H](COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1
InChIInChI=1S/C30H36N2O3/c33-30(29-12-6-18-34-29)32-15-5-10-27(22-32)23-35-28-11-4-9-26(20-28)21-31-16-13-25(14-17-31)19-24-7-2-1-3-8-24/h1-4,6-9,11-12,18,20,25,27H,5,10,13-17,19,21-23H2/t27-/m1/s1
InChIKeyGXGXIULXBKRSDI-HHHXNRCGSA-N
MW472.63 g/mol
LogP5.67
Rot. Bonds8

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

[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 42500399) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is [(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID42500399
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC Name[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@@H](COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1
InChIInChI=1S/C30H36N2O3/c33-30(29-12-6-18-34-29)32-15-5-10-27(22-32)23-35-28-11-4-9-26(20-28)21-31-16-13-25(14-17-31)19-24-7-2-1-3-8-24/h1-4,6-9,11-12,18,20,25,27H,5,10,13-17,19,21-23H2/t27-/m1/s1
InChIKeyGXGXIULXBKRSDI-HHHXNRCGSA-N
XLogP5.67
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 42168586
furan-2-yl-[3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 45207969
furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42501418
1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 45191679
1-[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 42165123
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
4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097972
[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45232756
(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 40640492
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone (CID 42500399) is [(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC[C@@H](COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1.
What is the InChIKey of [(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GXGXIULXBKRSDI-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H36N2O3/c33-30(29-12-6-18-34-29)32-15-5-10-27(22-32)23-35-28-11-4-9-26(20-28)21-31-16-13-25(14-17-31)19-24-7-2-1-3-8-24/h1-4,6-9,11-12,18,20,25,27H,5,10,13-17,19,21-23H2/t27-/m1/s1.
What are the key properties of [(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone?
[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 472.63 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 42500399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).