methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate

C20H22N2O5 — CID 35676238

IUPACmethyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C20H22N2O5/c1-13-3-4-15(20(25)26-2)11-17(13)21-18(23)14-5-8-22(9-6-14)19(24)16-7-10-27-12-16/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3,(H,21,23)
InChIKeyKGNMBNMROXVIQT-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.87
Rot. Bonds4

About methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate

methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate (PubChem CID 35676238) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate
PubChem CID35676238
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C20H22N2O5/c1-13-3-4-15(20(25)26-2)11-17(13)21-18(23)14-5-8-22(9-6-14)19(24)16-7-10-27-12-16/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3,(H,21,23)
InChIKeyKGNMBNMROXVIQT-UHFFFAOYSA-N
XLogP2.87
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 134060480
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
1-[(5-methoxycarbonyl-2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074107
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35710271
4-methyl-3-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]benzoic acid
CID 110669217
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35505478
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
(3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 30804053
1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 35750813
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
methyl 4-chloro-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55338664

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate (CID 35676238) is methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate?
The InChIKey is KGNMBNMROXVIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13-3-4-15(20(25)26-2)11-17(13)21-18(23)14-5-8-22(9-6-14)19(24)16-7-10-27-12-16/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate?
methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate has a molecular weight of 370.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate is sourced from PubChem (CID 35676238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).