ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate

C14H19ClN2O4 — CID 100650510

IUPACethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccoc2Cl)CCN(C)CC1
InChIInChI=1S/C14H19ClN2O4/c1-3-20-13(19)14(5-7-17(2)8-6-14)16-12(18)10-4-9-21-11(10)15/h4,9H,3,5-8H2,1-2H3,(H,16,18)
InChIKeyZZNYHZIQBNIPCE-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.69
Rot. Bonds4

About ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate

ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate (PubChem CID 100650510) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate
PubChem CID100650510
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Nameethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccoc2Cl)CCN(C)CC1
InChIInChI=1S/C14H19ClN2O4/c1-3-20-13(19)14(5-7-17(2)8-6-14)16-12(18)10-4-9-21-11(10)15/h4,9H,3,5-8H2,1-2H3,(H,16,18)
InChIKeyZZNYHZIQBNIPCE-UHFFFAOYSA-N
XLogP1.69
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]furan-3-carboxamide
CID 106689269
2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide
CID 106687134
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
CID 106686542
ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106685563
2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide
CID 130944192
ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
CID 53399515
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
CID 106861279
ethyl 4-(benzylamino)-1-methylazepane-4-carboxylate
CID 65074800
ethyl 4-(4-fluoroanilino)-1-methylazepane-4-carboxylate
CID 65075163
methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate
CID 23500828
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate (CID 100650510) is ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate is CCOC(=O)C1(NC(=O)c2ccoc2Cl)CCN(C)CC1.
What is the InChIKey of ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate?
The InChIKey is ZZNYHZIQBNIPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-3-20-13(19)14(5-7-17(2)8-6-14)16-12(18)10-4-9-21-11(10)15/h4,9H,3,5-8H2,1-2H3,(H,16,18).
What are the key properties of ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate?
ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate has a molecular weight of 314.77 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 100650510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).