(2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one

C17H27N3O2 — CID 124874961

IUPAC(2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
SMILESCCO[C@H](C)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1
InChIInChI=1S/C17H27N3O2/c1-3-22-13(2)17(21)19-9-6-7-14(12-19)16-18-11-15-8-4-5-10-20(15)16/h11,13-14H,3-10,12H2,1-2H3/t13-,14+/m1/s1
InChIKeyFGYLEKJJBZTFRB-KGLIPLIRSA-N
MW305.42 g/mol
LogP2.35
Rot. Bonds4

About (2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one

(2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 124874961) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
PubChem CID124874961
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
SMILESCCO[C@H](C)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1
InChIInChI=1S/C17H27N3O2/c1-3-22-13(2)17(21)19-9-6-7-14(12-19)16-18-11-15-8-4-5-10-20(15)16/h11,13-14H,3-10,12H2,1-2H3/t13-,14+/m1/s1
InChIKeyFGYLEKJJBZTFRB-KGLIPLIRSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117148268
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
2-(1-methylpiperidin-4-yl)oxy-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 154867623
1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride
CID 119465088
2-methyl-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-1-one
CID 42947532
1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 138989228
N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
CID 95133875
2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 75517382
2-(4-bromophenoxy)-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-1-one
CID 55556789
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117148513
3-[(3S)-1-[(2R)-2-ethoxypropanoyl]piperidin-3-yl]propanoic acid
CID 124683470
3-[1-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 128507735

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one (CID 124874961) is (2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one is CCO[C@H](C)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1.
What is the InChIKey of (2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is FGYLEKJJBZTFRB-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-22-13(2)17(21)19-9-6-7-14(12-19)16-18-11-15-8-4-5-10-20(15)16/h11,13-14H,3-10,12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?
(2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 305.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124874961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).