2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone

C18H31N3O4 — CID 11912300

IUPAC2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C18H31N3O4/c1-2-15-14-21(18(23)20-7-11-25-12-8-20)4-3-16(15)13-17(22)19-5-9-24-10-6-19/h15-16H,2-14H2,1H3/t15-,16-/m0/s1
InChIKeyXBDZGJKMACLZGU-HOTGVXAUSA-N
MW353.46 g/mol
LogP1.04
Rot. Bonds3

About 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone

2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 11912300) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID11912300
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C18H31N3O4/c1-2-15-14-21(18(23)20-7-11-25-12-8-20)4-3-16(15)13-17(22)19-5-9-24-10-6-19/h15-16H,2-14H2,1H3/t15-,16-/m0/s1
InChIKeyXBDZGJKMACLZGU-HOTGVXAUSA-N
XLogP1.04
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone (CID 11912300) is 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone is CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is XBDZGJKMACLZGU-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-2-15-14-21(18(23)20-7-11-25-12-8-20)4-3-16(15)13-17(22)19-5-9-24-10-6-19/h15-16H,2-14H2,1H3/t15-,16-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 353.46 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 11912300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).