(4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate

C19H18N2O5 — CID 43032473

IUPAC(4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCOc1cc(C#N)ccc1OC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18N2O5/c1-24-17-11-13(12-20)4-5-15(17)26-19(23)14-6-8-21(9-7-14)18(22)16-3-2-10-25-16/h2-5,10-11,14H,6-9H2,1H3
InChIKeyJKQZVXLQPGCZGK-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.62
Rot. Bonds4

About (4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate

(4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 43032473) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID43032473
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCOc1cc(C#N)ccc1OC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18N2O5/c1-24-17-11-13(12-20)4-5-15(17)26-19(23)14-6-8-21(9-7-14)18(22)16-3-2-10-25-16/h2-5,10-11,14H,6-9H2,1H3
InChIKeyJKQZVXLQPGCZGK-UHFFFAOYSA-N
XLogP2.62
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2-chlorophenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 16564103
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35378219
(4-cyano-2-methoxyphenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 26892015
1-(furan-2-carbonyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 78814076
2-(4-cyanophenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 46510338
N-cyano-N'-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1,4-diazepane-1-carboximidamide
CID 88789882
[1-(furan-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281116
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 17461515
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 1-(furan-3-carbonyl)piperidine-4-carboxylate
CID 87011743
(4-cyano-2-methoxyphenyl) 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 43059595
4-[4-(4-benzoylpiperidin-1-yl)-4-oxobutoxy]-3-methoxybenzonitrile
CID 55713245
(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609681

Frequently Asked Questions

What is the IUPAC name of (4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of (4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 43032473) is (4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for (4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for (4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate is COc1cc(C#N)ccc1OC(=O)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is JKQZVXLQPGCZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-24-17-11-13(12-20)4-5-15(17)26-19(23)14-6-8-21(9-7-14)18(22)16-3-2-10-25-16/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of (4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate?
(4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 354.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43032473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).