ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

C19H28N4O4 — CID 89161903

IUPACethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESC=C(C)OC(=O)N1CCC(n2c(C)nc3c2CCN(C(=O)OCC)C3)CC1
InChIInChI=1S/C19H28N4O4/c1-5-26-18(24)22-11-8-17-16(12-22)20-14(4)23(17)15-6-9-21(10-7-15)19(25)27-13(2)3/h15H,2,5-12H2,1,3-4H3
InChIKeyWDFQTURKWNTRCX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.01
Rot. Bonds3

About ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 89161903) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
PubChem CID89161903
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Nameethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESC=C(C)OC(=O)N1CCC(n2c(C)nc3c2CCN(C(=O)OCC)C3)CC1
InChIInChI=1S/C19H28N4O4/c1-5-26-18(24)22-11-8-17-16(12-22)20-14(4)23(17)15-6-9-21(10-7-15)19(25)27-13(2)3/h15H,2,5-12H2,1,3-4H3
InChIKeyWDFQTURKWNTRCX-UHFFFAOYSA-N
XLogP3.01
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (CID 89161903) is ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is C=C(C)OC(=O)N1CCC(n2c(C)nc3c2CCN(C(=O)OCC)C3)CC1.
What is the InChIKey of ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is WDFQTURKWNTRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-5-26-18(24)22-11-8-17-16(12-22)20-14(4)23(17)15-6-9-21(10-7-15)19(25)27-13(2)3/h15H,2,5-12H2,1,3-4H3.
What are the key properties of ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1-(1-prop-1-en-2-yloxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 89161903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).