ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate

C19H20ClNO4 — CID 27555148

IUPACethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C19H20ClNO4/c1-2-24-19(23)13-9-11-21(12-10-13)18(22)17-8-7-16(25-17)14-5-3-4-6-15(14)20/h3-8,13H,2,9-12H2,1H3
InChIKeyVCJZSJIFNHDQGP-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.02
Rot. Bonds4

About ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate

ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate (PubChem CID 27555148) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
PubChem CID27555148
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Nameethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C19H20ClNO4/c1-2-24-19(23)13-9-11-21(12-10-13)18(22)17-8-7-16(25-17)14-5-3-4-6-15(14)20/h3-8,13H,2,9-12H2,1H3
InChIKeyVCJZSJIFNHDQGP-UHFFFAOYSA-N
XLogP4.02
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-4-carboxylate
CID 35512333
1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
ethyl 1-[5-(2-chlorophenyl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 46032163
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate
CID 168527063
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate
CID 110697653
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
[5-(2-chlorophenyl)furan-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 40676181
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 46653955

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate (CID 27555148) is ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate?
The InChIKey is VCJZSJIFNHDQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-2-24-19(23)13-9-11-21(12-10-13)18(22)17-8-7-16(25-17)14-5-3-4-6-15(14)20/h3-8,13H,2,9-12H2,1H3.
What are the key properties of ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate?
ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate has a molecular weight of 361.83 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 27555148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).