methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate

C25H23ClN2O5 — CID 66680441

IUPACmethyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)C1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1
InChIInChI=1S/C25H23ClN2O5/c1-32-25(31)21-13-20(26)7-8-22(21)27-23(29)18-6-3-10-28(14-18)24(30)17-5-2-4-16(12-17)19-9-11-33-15-19/h2,4-5,7-9,11-13,15,18H,3,6,10,14H2,1H3,(H,27,29)
InChIKeyGRWMQTDIKYANBG-UHFFFAOYSA-N
MW466.92 g/mol
LogP4.88
Rot. Bonds5

About methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate

methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate (PubChem CID 66680441) has the molecular formula C25H23ClN2O5 and a molecular weight of 466.92 g/mol. Its IUPAC name is methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate
PubChem CID66680441
Molecular FormulaC25H23ClN2O5
Molecular Weight466.92 g/mol
Exact Mass466.13
IUPAC Namemethyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)C1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1
InChIInChI=1S/C25H23ClN2O5/c1-32-25(31)21-13-20(26)7-8-22(21)27-23(29)18-6-3-10-28(14-18)24(30)17-5-2-4-16(12-17)19-9-11-33-15-19/h2,4-5,7-9,11-13,15,18H,3,6,10,14H2,1H3,(H,27,29)
InChIKeyGRWMQTDIKYANBG-UHFFFAOYSA-N
XLogP4.88
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 50804284
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46604295
(3S)-N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 94082301
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
3-amino-5-chloro-2-[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]-4-methylbenzoic acid
CID 172711375
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 1330917
methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate
CID 66679964
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate (CID 66680441) is methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate is COC(=O)c1cc(Cl)ccc1NC(=O)C1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1.
What is the InChIKey of methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate?
The InChIKey is GRWMQTDIKYANBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O5/c1-32-25(31)21-13-20(26)7-8-22(21)27-23(29)18-6-3-10-28(14-18)24(30)17-5-2-4-16(12-17)19-9-11-33-15-19/h2,4-5,7-9,11-13,15,18H,3,6,10,14H2,1H3,(H,27,29).
What are the key properties of methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate?
methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate has a molecular weight of 466.92 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 66680441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).