1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone

C20H31N3O2 — CID 124615419

IUPAC1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)nc1
InChIInChI=1S/C20H31N3O2/c1-15-13-22(14-16(2)25-15)9-6-18-7-10-23(11-8-18)20-5-4-19(12-21-20)17(3)24/h4-5,12,15-16,18H,6-11,13-14H2,1-3H3/t15-,16+
InChIKeyZWXJSRSVZKDNBS-IYBDPMFKSA-N
MW345.49 g/mol
LogP3.00
Rot. Bonds5

About 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone

1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 124615419) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID124615419
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)nc1
InChIInChI=1S/C20H31N3O2/c1-15-13-22(14-16(2)25-15)9-6-18-7-10-23(11-8-18)20-5-4-19(12-21-20)17(3)24/h4-5,12,15-16,18H,6-11,13-14H2,1-3H3/t15-,16+
InChIKeyZWXJSRSVZKDNBS-IYBDPMFKSA-N
XLogP3.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
2-[4-[2-[1-(5-acetyl-2-pyridinyl)pyrrolidin-3-yl]ethyl]piperazin-1-yl]acetyl fluoride;ethane
CID 170739246
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
4-[2-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338682
1-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-6-fluorophenyl]ethanone
CID 133338554
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95973871
3-[[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]methyl]benzoic acid
CID 122029346
[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 75403072
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone (CID 124615419) is 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)nc1.
What is the InChIKey of 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is ZWXJSRSVZKDNBS-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-13-22(14-16(2)25-15)9-6-18-7-10-23(11-8-18)20-5-4-19(12-21-20)17(3)24/h4-5,12,15-16,18H,6-11,13-14H2,1-3H3/t15-,16+.
What are the key properties of 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone?
1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 345.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 124615419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).