(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone

C19H23N3O2 — CID 136530461

IUPAC(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCC(c3nccc(C)n3)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-3-24-17-6-4-5-16(13-17)19(23)22-11-8-15(9-12-22)18-20-10-7-14(2)21-18/h4-7,10,13,15H,3,8-9,11-12H2,1-2H3
InChIKeyVBGLNOHTIJEGSH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.20
Rot. Bonds4

About (3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone

(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 136530461) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
PubChem CID136530461
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCC(c3nccc(C)n3)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-3-24-17-6-4-5-16(13-17)19(23)22-11-8-15(9-12-22)18-20-10-7-14(2)21-18/h4-7,10,13,15H,3,8-9,11-12H2,1-2H3
InChIKeyVBGLNOHTIJEGSH-UHFFFAOYSA-N
XLogP3.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124968805
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
1,3-benzodioxol-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 127246578
N-[4-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 125021033
N-[4-[3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127246605
(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 136540847
[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95824132
[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone
CID 56921253

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone (CID 136530461) is (3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone is CCOc1cccc(C(=O)N2CCC(c3nccc(C)n3)CC2)c1.
What is the InChIKey of (3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is VBGLNOHTIJEGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-24-17-6-4-5-16(13-17)19(23)22-11-8-15(9-12-22)18-20-10-7-14(2)21-18/h4-7,10,13,15H,3,8-9,11-12H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone?
(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136530461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).