(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone

C18H22N4O2 — CID 125006022

IUPAC(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCC[C@@H](c2ccnc(C)n2)C1
InChIInChI=1S/C18H22N4O2/c1-3-24-17-15(7-4-9-20-17)18(23)22-11-5-6-14(12-22)16-8-10-19-13(2)21-16/h4,7-10,14H,3,5-6,11-12H2,1-2H3/t14-/m1/s1
InChIKeyUDEJYRIBERLELZ-CQSZACIVSA-N
MW326.40 g/mol
LogP2.60
Rot. Bonds4

About (2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone

(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 125006022) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID125006022
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCC[C@@H](c2ccnc(C)n2)C1
InChIInChI=1S/C18H22N4O2/c1-3-24-17-15(7-4-9-20-17)18(23)22-11-5-6-14(12-22)16-8-10-19-13(2)21-16/h4,7-10,14H,3,5-6,11-12H2,1-2H3/t14-/m1/s1
InChIKeyUDEJYRIBERLELZ-CQSZACIVSA-N
XLogP2.60
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 124967355
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
(2-ethoxy-3-pyridinyl)-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121147136
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 34729954
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438
(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124968705
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
2-[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136881533
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 125006022) is (2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone is CCOc1ncccc1C(=O)N1CCC[C@@H](c2ccnc(C)n2)C1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is UDEJYRIBERLELZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-24-17-15(7-4-9-20-17)18(23)22-11-5-6-14(12-22)16-8-10-19-13(2)21-16/h4,7-10,14H,3,5-6,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125006022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).