4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one

C17H27N3O5 — CID 134798406

IUPAC4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one
SMILESCOCC(=O)N1CCCC1C(=O)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C17H27N3O5/c1-24-11-15(21)20-6-2-3-14(20)17(23)18-7-4-13(5-8-18)19-9-10-25-12-16(19)22/h13-14H,2-12H2,1H3
InChIKeyATCOHYHIFXEBOP-UHFFFAOYSA-N
MW353.42 g/mol
LogP-0.53
Rot. Bonds4

About 4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one

4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one (PubChem CID 134798406) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one
PubChem CID134798406
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one
SMILESCOCC(=O)N1CCCC1C(=O)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C17H27N3O5/c1-24-11-15(21)20-6-2-3-14(20)17(23)18-7-4-13(5-8-18)19-9-10-25-12-16(19)22/h13-14H,2-12H2,1H3
InChIKeyATCOHYHIFXEBOP-UHFFFAOYSA-N
XLogP-0.53
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[1-(Cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134796383
4-[1-[1-(Cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134796562
N,N-dimethyl-2-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 134797492
3-[1-[(2R)-1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134797558
2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide
CID 97347967
1-[1-(3-Methyl-4-morpholin-4-ylpyrrolidin-1-yl)-1-oxopropan-2-yl]piperidin-2-one
CID 72122113
2,2-dimethyl-1-[(2S)-2-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 132457595
4-[3-(2-Oxopiperidin-1-yl)butyl]morpholin-3-one
CID 17888050
4-[4-(2-Oxopiperidin-1-yl)butan-2-yl]morpholin-3-one
CID 17888054
1-[2-(Morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
CID 20706116
(1-Methylpyrrolidin-2-yl)-morpholin-4-ylmethanone
CID 21365754
[(2S)-1-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 42612334

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one (CID 134798406) is 4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one is COCC(=O)N1CCCC1C(=O)N1CCC(N2CCOCC2=O)CC1.
What is the InChIKey of 4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one?
The InChIKey is ATCOHYHIFXEBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-24-11-15(21)20-6-2-3-14(20)17(23)18-7-4-13(5-8-18)19-9-10-25-12-16(19)22/h13-14H,2-12H2,1H3.
What are the key properties of 4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one?
4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 353.42 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 134798406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).