2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone

C22H28N4O3 — CID 165422608

IUPAC2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(C(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)CC1
InChIInChI=1S/C22H28N4O3/c1-2-29-14-20(27)25-10-8-17(9-11-25)22(28)26-12-18(16-6-4-3-5-7-16)21-19(13-26)23-15-24-21/h3-7,15,17-18H,2,8-14H2,1H3,(H,23,24)
InChIKeyGYKLPPZGPJBQHQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.16
Rot. Bonds5

About 2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone

2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone (PubChem CID 165422608) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
PubChem CID165422608
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(C(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)CC1
InChIInChI=1S/C22H28N4O3/c1-2-29-14-20(27)25-10-8-17(9-11-25)22(28)26-12-18(16-6-4-3-5-7-16)21-19(13-26)23-15-24-21/h3-7,15,17-18H,2,8-14H2,1H3,(H,23,24)
InChIKeyGYKLPPZGPJBQHQ-UHFFFAOYSA-N
XLogP2.16
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 165428218
4,4,4-trifluoro-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 164692889
1-[4-[(3R,3aS,6aS)-2-methyl-3-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]-2-ethoxyethanone;hydrochloride
CID 171709528
(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 165418989
3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164692153
2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 164689674
(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
(3-methylsulfanylphenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164698728
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 165417518
2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide
CID 165421163
2-ethoxy-1-[4-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 70712099
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone (CID 165422608) is 2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(C(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is GYKLPPZGPJBQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-2-29-14-20(27)25-10-8-17(9-11-25)22(28)26-12-18(16-6-4-3-5-7-16)21-19(13-26)23-15-24-21/h3-7,15,17-18H,2,8-14H2,1H3,(H,23,24).
What are the key properties of 2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 396.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 165422608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).