(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate

C18H17Cl2NO4 — CID 46609681

IUPAC(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H17Cl2NO4/c19-14-4-3-12(10-15(14)20)11-25-18(23)13-5-7-21(8-6-13)17(22)16-2-1-9-24-16/h1-4,9-10,13H,5-8,11H2
InChIKeyXQEZRZITVYIKMU-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.18
Rot. Bonds4

About (3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate

(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 46609681) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID46609681
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H17Cl2NO4/c19-14-4-3-12(10-15(14)20)11-25-18(23)13-5-7-21(8-6-13)17(22)16-2-1-9-24-16/h1-4,9-10,13H,5-8,11H2
InChIKeyXQEZRZITVYIKMU-UHFFFAOYSA-N
XLogP4.18
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609958
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35378219
(4-bromo-2-chlorophenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 16564103
(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7577913
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 56578801
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17081680
2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004702
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609950
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35377549
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55475565
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of (3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 46609681) is (3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate is O=C(OCc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is XQEZRZITVYIKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c19-14-4-3-12(10-15(14)20)11-25-18(23)13-5-7-21(8-6-13)17(22)16-2-1-9-24-16/h1-4,9-10,13H,5-8,11H2.
What are the key properties of (3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 382.24 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 46609681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).