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

C19H32N4O2 — CID 56751236

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
SMILESCc1nccn1CCC1CCCCN1C(=O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H32N4O2/c1-15-12-21(13-16(2)25-15)14-19(24)23-9-5-4-6-18(23)7-10-22-11-8-20-17(22)3/h8,11,15-16,18H,4-7,9-10,12-14H2,1-3H3/t15-,16+,18?
InChIKeyJUDQCONGZJPSJW-BYICEURKSA-N
MW348.49 g/mol
LogP2.07
Rot. Bonds5

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

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone (PubChem CID 56751236) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
PubChem CID56751236
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
SMILESCc1nccn1CCC1CCCCN1C(=O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H32N4O2/c1-15-12-21(13-16(2)25-15)14-19(24)23-9-5-4-6-18(23)7-10-22-11-8-20-17(22)3/h8,11,15-16,18H,4-7,9-10,12-14H2,1-3H3/t15-,16+,18?
InChIKeyJUDQCONGZJPSJW-BYICEURKSA-N
XLogP2.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone (CID 56751236) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone is Cc1nccn1CCC1CCCCN1C(=O)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is JUDQCONGZJPSJW-BYICEURKSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15-12-21(13-16(2)25-15)14-19(24)23-9-5-4-6-18(23)7-10-22-11-8-20-17(22)3/h8,11,15-16,18H,4-7,9-10,12-14H2,1-3H3/t15-,16+,18?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 348.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56751236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).