5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine

C21H28N2O3 — CID 131892345

IUPAC5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
SMILESCOc1cccc2c1OCCCN(C1CCN(Cc3ccco3)CC1)C2
InChIInChI=1S/C21H28N2O3/c1-24-20-7-2-5-17-15-23(10-4-14-26-21(17)20)18-8-11-22(12-9-18)16-19-6-3-13-25-19/h2-3,5-7,13,18H,4,8-12,14-16H2,1H3
InChIKeyKDSIQTOXCONLPG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.54
Rot. Bonds4

About 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine

5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine (PubChem CID 131892345) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine.

Molecular Properties

Compound Name5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
PubChem CID131892345
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
SMILESCOc1cccc2c1OCCCN(C1CCN(Cc3ccco3)CC1)C2
InChIInChI=1S/C21H28N2O3/c1-24-20-7-2-5-17-15-23(10-4-14-26-21(17)20)18-8-11-22(12-9-18)16-19-6-3-13-25-19/h2-3,5-7,13,18H,4,8-12,14-16H2,1H3
InChIKeyKDSIQTOXCONLPG-UHFFFAOYSA-N
XLogP3.54
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine with MolForge

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Related Compounds

4-(1-benzylpyrrolidin-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine
CID 154133662
1-(furan-2-ylmethyl)-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 131919672
N-[3-[4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 118757179
10-methoxy-5-[(3R)-3-methylsulfanylbutyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 99961723
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
4-cyclohexyloxy-1-(furan-2-ylmethyl)piperidine
CID 75439086
10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 26405650
5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 171907837
(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483280
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 91776517

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine?
The IUPAC name of 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine (CID 131892345) is 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine.
What is the SMILES notation for 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine?
The canonical SMILES for 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine is COc1cccc2c1OCCCN(C1CCN(Cc3ccco3)CC1)C2.
What is the InChIKey of 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine?
The InChIKey is KDSIQTOXCONLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-24-20-7-2-5-17-15-23(10-4-14-26-21(17)20)18-8-11-22(12-9-18)16-19-6-3-13-25-19/h2-3,5-7,13,18H,4,8-12,14-16H2,1H3.
What are the key properties of 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine?
5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine has a molecular weight of 356.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine is sourced from PubChem (CID 131892345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).