[4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone

C18H24N2O4 — CID 165422573

IUPAC[4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O)CC1
InChIInChI=1S/C18H24N2O4/c21-15-11-24-16-14(10-23-17(15)16)19-13-6-8-20(9-7-13)18(22)12-4-2-1-3-5-12/h1-5,13-17,19,21H,6-11H2/t14-,15+,16+,17+/m0/s1
InChIKeyHGNGNPNDMFYQTP-YLFCFFPRSA-N
MW332.40 g/mol
LogP0.41
Rot. Bonds3

About [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone

[4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone (PubChem CID 165422573) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone
PubChem CID165422573
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O)CC1
InChIInChI=1S/C18H24N2O4/c21-15-11-24-16-14(10-23-17(15)16)19-13-6-8-20(9-7-13)18(22)12-4-2-1-3-5-12/h1-5,13-17,19,21H,6-11H2/t14-,15+,16+,17+/m0/s1
InChIKeyHGNGNPNDMFYQTP-YLFCFFPRSA-N
XLogP0.41
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
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phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
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1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
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methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
(4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone
CID 25097535

Frequently Asked Questions

What is the IUPAC name of [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone (CID 165422573) is [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O)CC1.
What is the InChIKey of [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is HGNGNPNDMFYQTP-YLFCFFPRSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-15-11-24-16-14(10-23-17(15)16)19-13-6-8-20(9-7-13)18(22)12-4-2-1-3-5-12/h1-5,13-17,19,21H,6-11H2/t14-,15+,16+,17+/m0/s1.
What are the key properties of [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone?
[4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 332.40 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 165422573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).