(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone

C16H20N4O2 — CID 56817726

IUPAC(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESCCOC1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1
InChIInChI=1S/C16H20N4O2/c1-2-22-14-5-8-19(9-6-14)16(21)13-3-4-15(18-11-13)20-10-7-17-12-20/h3-4,7,10-12,14H,2,5-6,8-9H2,1H3
InChIKeyLSXIGXWTYGIGPE-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.91
Rot. Bonds4

About (4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone

(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone (PubChem CID 56817726) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
PubChem CID56817726
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESCCOC1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1
InChIInChI=1S/C16H20N4O2/c1-2-22-14-5-8-19(9-6-14)16(21)13-3-4-15(18-11-13)20-10-7-17-12-20/h3-4,7,10-12,14H,2,5-6,8-9H2,1H3
InChIKeyLSXIGXWTYGIGPE-UHFFFAOYSA-N
XLogP1.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 95583611
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 39975735
ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97314443
(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 119580052
(4-ethoxypiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55047272
(2,5-difluorophenyl)-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]methanone
CID 47057916
(6-imidazol-1-yl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 33018433
(6-imidazol-1-yl-3-pyridinyl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124963732
4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 34345375

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of (4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone (CID 56817726) is (4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone is CCOC1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1.
What is the InChIKey of (4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
The InChIKey is LSXIGXWTYGIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-22-14-5-8-19(9-6-14)16(21)13-3-4-15(18-11-13)20-10-7-17-12-20/h3-4,7,10-12,14H,2,5-6,8-9H2,1H3.
What are the key properties of (4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 56817726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).