(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

C18H24N4O2 — CID 125009660

IUPAC(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCC[C@H](Cc2[nH]ncc2C)C1
InChIInChI=1S/C18H24N4O2/c1-3-24-17-15(7-4-8-19-17)18(23)22-9-5-6-14(12-22)10-16-13(2)11-20-21-16/h4,7-8,11,14H,3,5-6,9-10,12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyVDWGGMDTVMRBCI-CQSZACIVSA-N
MW328.42 g/mol
LogP2.61
Rot. Bonds5

About (2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 125009660) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID125009660
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCC[C@H](Cc2[nH]ncc2C)C1
InChIInChI=1S/C18H24N4O2/c1-3-24-17-15(7-4-8-19-17)18(23)22-9-5-6-14(12-22)10-16-13(2)11-20-21-16/h4,7-8,11,14H,3,5-6,9-10,12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyVDWGGMDTVMRBCI-CQSZACIVSA-N
XLogP2.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124969786
[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124969785
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 97136974
(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124956924
isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106635
(5-methylpyrazin-2-yl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106565
(5-methylpyrazin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124970869
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 125002143
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110106586

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone (CID 125009660) is (2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone is CCOc1ncccc1C(=O)N1CCC[C@H](Cc2[nH]ncc2C)C1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is VDWGGMDTVMRBCI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-24-17-15(7-4-8-19-17)18(23)22-9-5-6-14(12-22)10-16-13(2)11-20-21-16/h4,7-8,11,14H,3,5-6,9-10,12H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125009660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).