1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide

C16H24N4O2 — CID 43817672

IUPAC1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2nc(C)cc(OCC)n2)CC1
InChIInChI=1S/C16H24N4O2/c1-4-8-17-15(21)13-6-9-20(10-7-13)16-18-12(3)11-14(19-16)22-5-2/h4,11,13H,1,5-10H2,2-3H3,(H,17,21)
InChIKeyFJQNADVUZOJTAE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.70
Rot. Bonds6

About 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide

1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 43817672) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID43817672
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2nc(C)cc(OCC)n2)CC1
InChIInChI=1S/C16H24N4O2/c1-4-8-17-15(21)13-6-9-20(10-7-13)16-18-12(3)11-14(19-16)22-5-2/h4,11,13H,1,5-10H2,2-3H3,(H,17,21)
InChIKeyFJQNADVUZOJTAE-UHFFFAOYSA-N
XLogP1.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide (CID 43817672) is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(c2nc(C)cc(OCC)n2)CC1.
What is the InChIKey of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is FJQNADVUZOJTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-8-17-15(21)13-6-9-20(10-7-13)16-18-12(3)11-14(19-16)22-5-2/h4,11,13H,1,5-10H2,2-3H3,(H,17,21).
What are the key properties of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 43817672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).