N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide

C16H24N4O2 — CID 3228715

IUPACN-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCCOc1cc(C)nc(N2CCCC(C(=O)NC3CC3)C2)n1
InChIInChI=1S/C16H24N4O2/c1-3-22-14-9-11(2)17-16(19-14)20-8-4-5-12(10-20)15(21)18-13-6-7-13/h9,12-13H,3-8,10H2,1-2H3,(H,18,21)
InChIKeyHDCIXZAELVWFKM-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.68
Rot. Bonds5

About N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3228715) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3228715
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCCOc1cc(C)nc(N2CCCC(C(=O)NC3CC3)C2)n1
InChIInChI=1S/C16H24N4O2/c1-3-22-14-9-11(2)17-16(19-14)20-8-4-5-12(10-20)15(21)18-13-6-7-13/h9,12-13H,3-8,10H2,1-2H3,(H,18,21)
InChIKeyHDCIXZAELVWFKM-UHFFFAOYSA-N
XLogP1.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3228715) is N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is CCOc1cc(C)nc(N2CCCC(C(=O)NC3CC3)C2)n1.
What is the InChIKey of N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is HDCIXZAELVWFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-22-14-9-11(2)17-16(19-14)20-8-4-5-12(10-20)15(21)18-13-6-7-13/h9,12-13H,3-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3228715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).