6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide

C18H28N4O2 — CID 118739942

IUPAC6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C2(C)CCN(C(C)=O)CC2)nc(C)n1
InChIInChI=1S/C18H28N4O2/c1-6-21(7-2)17(24)15-12-16(20-13(3)19-15)18(5)8-10-22(11-9-18)14(4)23/h12H,6-11H2,1-5H3
InChIKeyXJIQAANFQWDIJP-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.17
Rot. Bonds4

About 6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide

6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide (PubChem CID 118739942) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
PubChem CID118739942
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C2(C)CCN(C(C)=O)CC2)nc(C)n1
InChIInChI=1S/C18H28N4O2/c1-6-21(7-2)17(24)15-12-16(20-13(3)19-15)18(5)8-10-22(11-9-18)14(4)23/h12H,6-11H2,1-5H3
InChIKeyXJIQAANFQWDIJP-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide (CID 118739942) is 6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(C2(C)CCN(C(C)=O)CC2)nc(C)n1.
What is the InChIKey of 6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is XJIQAANFQWDIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-6-21(7-2)17(24)15-12-16(20-13(3)19-15)18(5)8-10-22(11-9-18)14(4)23/h12H,6-11H2,1-5H3.
What are the key properties of 6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 118739942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).