furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone

C22H29N3O3 — CID 30728450

IUPACfuran-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1
InChIInChI=1S/C22H29N3O3/c26-21-16-25(22(27)19-8-15-28-17-19)10-7-20(21)24-13-11-23(12-14-24)9-6-18-4-2-1-3-5-18/h1-5,8,15,17,20-21,26H,6-7,9-14,16H2/t20-,21-/m1/s1
InChIKeyANAUCJYKNKFSMW-NHCUHLMSSA-N
MW383.49 g/mol
LogP1.72
Rot. Bonds5

About furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone

furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 30728450) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID30728450
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Namefuran-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1
InChIInChI=1S/C22H29N3O3/c26-21-16-25(22(27)19-8-15-28-17-19)10-7-20(21)24-13-11-23(12-14-24)9-6-18-4-2-1-3-5-18/h1-5,8,15,17,20-21,26H,6-7,9-14,16H2/t20-,21-/m1/s1
InChIKeyANAUCJYKNKFSMW-NHCUHLMSSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S,4S)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 133119092
furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 45238952
(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29085357
furan-3-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71976252
[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702
(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
CID 114509899
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
(3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
CID 133134867
(3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29023638
(3R,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 45232296
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
(4-chlorophenyl)-[3-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
CID 68511487

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 30728450) is furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone is O=C(c1ccoc1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1.
What is the InChIKey of furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is ANAUCJYKNKFSMW-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-21-16-25(22(27)19-8-15-28-17-19)10-7-20(21)24-13-11-23(12-14-24)9-6-18-4-2-1-3-5-18/h1-5,8,15,17,20-21,26H,6-7,9-14,16H2/t20-,21-/m1/s1.
What are the key properties of furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone?
furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 383.49 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 30728450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).