1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone

C18H31N3O5 — CID 38025674

IUPAC1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)N3CCOCC3)O2)CC1
InChIInChI=1S/C18H31N3O5/c1-14(22)20-8-6-19(7-9-20)5-4-15-2-3-16(23)17(26-15)18(24)21-10-12-25-13-11-21/h15-17,23H,2-13H2,1H3/t15-,16-,17-/m0/s1
InChIKeyBQBNZDXXVNVDSW-ULQDDVLXSA-N
MW369.46 g/mol
LogP-0.69
Rot. Bonds4

About 1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 38025674) has the molecular formula C18H31N3O5 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID38025674
Molecular FormulaC18H31N3O5
Molecular Weight369.46 g/mol
Exact Mass369.23
IUPAC Name1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)N3CCOCC3)O2)CC1
InChIInChI=1S/C18H31N3O5/c1-14(22)20-8-6-19(7-9-20)5-4-15-2-3-16(23)17(26-15)18(24)21-10-12-25-13-11-21/h15-17,23H,2-13H2,1H3/t15-,16-,17-/m0/s1
InChIKeyBQBNZDXXVNVDSW-ULQDDVLXSA-N
XLogP-0.69
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone (CID 38025674) is 1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)N3CCOCC3)O2)CC1.
What is the InChIKey of 1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is BQBNZDXXVNVDSW-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H31N3O5/c1-14(22)20-8-6-19(7-9-20)5-4-15-2-3-16(23)17(26-15)18(24)21-10-12-25-13-11-21/h15-17,23H,2-13H2,1H3/t15-,16-,17-/m0/s1.
What are the key properties of 1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 369.46 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2S,5S,6S)-5-hydroxy-6-(morpholine-4-carbonyl)oxan-2-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 38025674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).