ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate

C19H30N4O4 — CID 70435703

IUPACethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate
SMILESCCOC(=O)N=c1cc(N2CCCCC2)nc(C2(CC)CCCCO2)n1O
InChIInChI=1S/C19H30N4O4/c1-3-19(10-6-9-13-27-19)17-20-15(22-11-7-5-8-12-22)14-16(23(17)25)21-18(24)26-4-2/h14,25H,3-13H2,1-2H3
InChIKeyMCBKCOBGQVWCPG-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.97
Rot. Bonds4

About ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate

ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate (PubChem CID 70435703) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate
PubChem CID70435703
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Nameethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate
SMILESCCOC(=O)N=c1cc(N2CCCCC2)nc(C2(CC)CCCCO2)n1O
InChIInChI=1S/C19H30N4O4/c1-3-19(10-6-9-13-27-19)17-20-15(22-11-7-5-8-12-22)14-16(23(17)25)21-18(24)26-4-2/h14,25H,3-13H2,1-2H3
InChIKeyMCBKCOBGQVWCPG-UHFFFAOYSA-N
XLogP2.97
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate?
The IUPAC name of ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate (CID 70435703) is ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate.
What is the SMILES notation for ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate?
The canonical SMILES for ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate is CCOC(=O)N=c1cc(N2CCCCC2)nc(C2(CC)CCCCO2)n1O.
What is the InChIKey of ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate?
The InChIKey is MCBKCOBGQVWCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-3-19(10-6-9-13-27-19)17-20-15(22-11-7-5-8-12-22)14-16(23(17)25)21-18(24)26-4-2/h14,25H,3-13H2,1-2H3.
What are the key properties of ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate?
ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate has a molecular weight of 378.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene]carbamate is sourced from PubChem (CID 70435703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).