ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate

C15H23N3O3 — CID 7301572

IUPACethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
SMILESCCO/C(=N\C(=O)c1ccco1)N(C)C1CCN(C)CC1
InChIInChI=1S/C15H23N3O3/c1-4-20-15(16-14(19)13-6-5-11-21-13)18(3)12-7-9-17(2)10-8-12/h5-6,11-12H,4,7-10H2,1-3H3/b16-15-
InChIKeySDIBVFQXZDBXSB-NXVVXOECSA-N
MW293.37 g/mol
LogP1.84
Rot. Bonds3

About ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate

ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate (PubChem CID 7301572) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate.

Molecular Properties

Compound Nameethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
PubChem CID7301572
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
SMILESCCO/C(=N\C(=O)c1ccco1)N(C)C1CCN(C)CC1
InChIInChI=1S/C15H23N3O3/c1-4-20-15(16-14(19)13-6-5-11-21-13)18(3)12-7-9-17(2)10-8-12/h5-6,11-12H,4,7-10H2,1-3H3/b16-15-
InChIKeySDIBVFQXZDBXSB-NXVVXOECSA-N
XLogP1.84
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate
CID 7301471
ethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 46125916
propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 7265416
methyl N-(furan-2-carbonyl)-4-methylpiperazine-1-carboximidate
CID 4988246
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 4664400
2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate
CID 7296039
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide
CID 53185697
N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 115270100
methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270420
(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 25293793

Frequently Asked Questions

What is the IUPAC name of ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
The IUPAC name of ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate (CID 7301572) is ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate.
What is the SMILES notation for ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
The canonical SMILES for ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate is CCO/C(=N\C(=O)c1ccco1)N(C)C1CCN(C)CC1.
What is the InChIKey of ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
The InChIKey is SDIBVFQXZDBXSB-NXVVXOECSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-20-15(16-14(19)13-6-5-11-21-13)18(3)12-7-9-17(2)10-8-12/h5-6,11-12H,4,7-10H2,1-3H3/b16-15-.
What are the key properties of ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate has a molecular weight of 293.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate is sourced from PubChem (CID 7301572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).