1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone

C22H32N4O3 — CID 95445127

IUPAC1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc1
InChIInChI=1S/C22H32N4O3/c1-17(27)18-4-5-21(23-15-18)24-9-6-20(7-10-24)26-8-2-3-19(16-26)22(28)25-11-13-29-14-12-25/h4-5,15,19-20H,2-3,6-14,16H2,1H3/t19-/m1/s1
InChIKeyFDBQHGINAXKQND-LJQANCHMSA-N
MW400.52 g/mol
LogP1.82
Rot. Bonds4

About 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone

1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 95445127) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID95445127
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc1
InChIInChI=1S/C22H32N4O3/c1-17(27)18-4-5-21(23-15-18)24-9-6-20(7-10-24)26-8-2-3-19(16-26)22(28)25-11-13-29-14-12-25/h4-5,15,19-20H,2-3,6-14,16H2,1H3/t19-/m1/s1
InChIKeyFDBQHGINAXKQND-LJQANCHMSA-N
XLogP1.82
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 123921823
2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 95524873
[(3R)-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95539383
[(3S)-1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95557506
morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95549789
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
2-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56879348
[(3R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95463751
[(3S)-1-[1-(2-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95551659
[(3S)-1-[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95509656
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone (CID 95445127) is 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc1.
What is the InChIKey of 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is FDBQHGINAXKQND-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-17(27)18-4-5-21(23-15-18)24-9-6-20(7-10-24)26-8-2-3-19(16-26)22(28)25-11-13-29-14-12-25/h4-5,15,19-20H,2-3,6-14,16H2,1H3/t19-/m1/s1.
What are the key properties of 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone?
1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 400.52 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 95445127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).