1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

C20H25FN4O2 — CID 650993

IUPAC1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3F)C2)n1
InChIInChI=1S/C20H25FN4O2/c1-3-27-18-11-14(2)23-20(24-18)25-10-6-8-16(13-25)19(26)22-12-15-7-4-5-9-17(15)21/h4-5,7,9,11,16H,3,6,8,10,12-13H2,1-2H3,(H,22,26)
InChIKeyRBUPRJXZXKZIJL-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 650993) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID650993
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3F)C2)n1
InChIInChI=1S/C20H25FN4O2/c1-3-27-18-11-14(2)23-20(24-18)25-10-6-8-16(13-25)19(26)22-12-15-7-4-5-9-17(15)21/h4-5,7,9,11,16H,3,6,8,10,12-13H2,1-2H3,(H,22,26)
InChIKeyRBUPRJXZXKZIJL-UHFFFAOYSA-N
XLogP2.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 650993) is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is CCOc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3F)C2)n1.
What is the InChIKey of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is RBUPRJXZXKZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-3-27-18-11-14(2)23-20(24-18)25-10-6-8-16(13-25)19(26)22-12-15-7-4-5-9-17(15)21/h4-5,7,9,11,16H,3,6,8,10,12-13H2,1-2H3,(H,22,26).
What are the key properties of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.86, 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-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 650993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).