2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide

C20H24N4O2 — CID 110247797

IUPAC2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)c2ccccc2)ncc1C(=O)N(C)C
InChIInChI=1S/C20H24N4O2/c1-14-16(20(26)23(2)3)13-21-18(22-14)17-11-7-8-12-24(17)19(25)15-9-5-4-6-10-15/h4-6,9-10,13,17H,7-8,11-12H2,1-3H3
InChIKeyDFBXPAIIRLINSC-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.85
Rot. Bonds3

About 2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide

2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide (PubChem CID 110247797) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide
PubChem CID110247797
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)c2ccccc2)ncc1C(=O)N(C)C
InChIInChI=1S/C20H24N4O2/c1-14-16(20(26)23(2)3)13-21-18(22-14)17-11-7-8-12-24(17)19(25)15-9-5-4-6-10-15/h4-6,9-10,13,17H,7-8,11-12H2,1-3H3
InChIKeyDFBXPAIIRLINSC-UHFFFAOYSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide (CID 110247797) is 2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide is Cc1nc(C2CCCCN2C(=O)c2ccccc2)ncc1C(=O)N(C)C.
What is the InChIKey of 2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide?
The InChIKey is DFBXPAIIRLINSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-16(20(26)23(2)3)13-21-18(22-14)17-11-7-8-12-24(17)19(25)15-9-5-4-6-10-15/h4-6,9-10,13,17H,7-8,11-12H2,1-3H3.
What are the key properties of 2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide?
2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110247797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).