[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate

C21H23NO5 — CID 87011743

IUPAC[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate
SMILESC/C=C/c1ccc(OC(=O)C2CCN(C(=O)c3ccoc3)CC2)c(OC)c1
InChIInChI=1S/C21H23NO5/c1-3-4-15-5-6-18(19(13-15)25-2)27-21(24)16-7-10-22(11-8-16)20(23)17-9-12-26-14-17/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3/b4-3+
InChIKeyWCWLOTIZASAHFD-ONEGZZNKSA-N
MW369.42 g/mol
LogP3.78
Rot. Bonds5

About [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate (PubChem CID 87011743) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate
PubChem CID87011743
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate
SMILESC/C=C/c1ccc(OC(=O)C2CCN(C(=O)c3ccoc3)CC2)c(OC)c1
InChIInChI=1S/C21H23NO5/c1-3-4-15-5-6-18(19(13-15)25-2)27-21(24)16-7-10-22(11-8-16)20(23)17-9-12-26-14-17/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3/b4-3+
InChIKeyWCWLOTIZASAHFD-ONEGZZNKSA-N
XLogP3.78
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 36831722
[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 55762192
(3-methylphenyl) 1-(furan-3-carbonyl)piperidine-4-carboxylate
CID 35503747
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(furan-3-yl)methanone
CID 56819357
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35505478
1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 86975363
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide
CID 31398496
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682
(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate
CID 4504529
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 32528733
(4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 43032473
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate (CID 87011743) is [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate is C/C=C/c1ccc(OC(=O)C2CCN(C(=O)c3ccoc3)CC2)c(OC)c1.
What is the InChIKey of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is WCWLOTIZASAHFD-ONEGZZNKSA-N. The full InChI is InChI=1S/C21H23NO5/c1-3-4-15-5-6-18(19(13-15)25-2)27-21(24)16-7-10-22(11-8-16)20(23)17-9-12-26-14-17/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3/b4-3+.
What are the key properties of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate?
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 87011743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).