2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one

C19H26N4O2 — CID 110234494

IUPAC2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(c2cc3cccnc3[nH]2)C1)N1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-14(22-8-10-25-11-9-22)19(24)23-7-3-5-16(13-23)17-12-15-4-2-6-20-18(15)21-17/h2,4,6,12,14,16H,3,5,7-11,13H2,1H3,(H,20,21)
InChIKeyVNSFDOHQQXRYGE-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.99
Rot. Bonds3

About 2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one

2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110234494) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110234494
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(c2cc3cccnc3[nH]2)C1)N1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-14(22-8-10-25-11-9-22)19(24)23-7-3-5-16(13-23)17-12-15-4-2-6-20-18(15)21-17/h2,4,6,12,14,16H,3,5,7-11,13H2,1H3,(H,20,21)
InChIKeyVNSFDOHQQXRYGE-UHFFFAOYSA-N
XLogP1.99
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433208
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92610992
pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110258753
1-methyl-4-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110234485
(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110234470
(5R)-3-methyl-5-[2-oxo-2-[(3S)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 92607674
(2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 26356129
(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 92560117
(2S)-1-[(3R)-3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 29258174
N-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433207
(2R)-2-morpholin-4-yl-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95337848
(1-methylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95811532

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one (CID 110234494) is 2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCC(c2cc3cccnc3[nH]2)C1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is VNSFDOHQQXRYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(22-8-10-25-11-9-22)19(24)23-7-3-5-16(13-23)17-12-15-4-2-6-20-18(15)21-17/h2,4,6,12,14,16H,3,5,7-11,13H2,1H3,(H,20,21).
What are the key properties of 2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 342.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110234494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).