1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone

C19H35N3O4 — CID 158454355

IUPAC1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.CC(=O)N1CCCCC1.CC(=O)N1CCOCC1
InChIInChI=1S/C7H13NO.C6H11NO2.C6H11NO/c1-7(9)8-5-3-2-4-6-8;1-6(8)7-2-4-9-5-3-7;1-6(8)7-4-2-3-5-7/h2-6H2,1H3;2-5H2,1H3;2-5H2,1H3
InChIKeyHEJQPRXPOJALIJ-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.51
Rot. Bonds

About 1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone

1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone (PubChem CID 158454355) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone
PubChem CID158454355
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.CC(=O)N1CCCCC1.CC(=O)N1CCOCC1
InChIInChI=1S/C7H13NO.C6H11NO2.C6H11NO/c1-7(9)8-5-3-2-4-6-8;1-6(8)7-2-4-9-5-3-7;1-6(8)7-4-2-3-5-7/h2-6H2,1H3;2-5H2,1H3;2-5H2,1H3
InChIKeyHEJQPRXPOJALIJ-UHFFFAOYSA-N
XLogP1.51
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone?
The IUPAC name of 1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone (CID 158454355) is 1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone is CC(=O)N1CCCC1.CC(=O)N1CCCCC1.CC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone?
The InChIKey is HEJQPRXPOJALIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C6H11NO2.C6H11NO/c1-7(9)8-5-3-2-4-6-8;1-6(8)7-2-4-9-5-3-7;1-6(8)7-4-2-3-5-7/h2-6H2,1H3;2-5H2,1H3;2-5H2,1H3.
What are the key properties of 1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone?
1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone has a molecular weight of 369.51 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 158454355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).