4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one

C27H55N5O3 — CID 158231288

IUPAC4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one
SMILESCN1CCCC1.CN1CCCC1=O.CN1CCCCC1.CN1CCCCC1=O.CN1CCOCC1
InChIInChI=1S/C6H11NO.C6H13N.C5H11NO.C5H9NO.C5H11N/c1-7-5-3-2-4-6(7)8;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-4-2-3-5-6/h2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-5H2,1H3
InChIKeyGEKKMKIFTLHXMW-UHFFFAOYSA-N
MW497.77 g/mol
LogP2.63
Rot. Bonds

About 4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one

4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one (PubChem CID 158231288) has the molecular formula C27H55N5O3 and a molecular weight of 497.77 g/mol. Its IUPAC name is 4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one
PubChem CID158231288
Molecular FormulaC27H55N5O3
Molecular Weight497.77 g/mol
Exact Mass497.43
IUPAC Name4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one
SMILESCN1CCCC1.CN1CCCC1=O.CN1CCCCC1.CN1CCCCC1=O.CN1CCOCC1
InChIInChI=1S/C6H11NO.C6H13N.C5H11NO.C5H9NO.C5H11N/c1-7-5-3-2-4-6(7)8;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-4-2-3-5-6/h2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-5H2,1H3
InChIKeyGEKKMKIFTLHXMW-UHFFFAOYSA-N
XLogP2.63
TPSA59.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.77
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The IUPAC name of 4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one (CID 158231288) is 4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The canonical SMILES for 4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one is CN1CCCC1.CN1CCCC1=O.CN1CCCCC1.CN1CCCCC1=O.CN1CCOCC1.
What is the InChIKey of 4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The InChIKey is GEKKMKIFTLHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H13N.C5H11NO.C5H9NO.C5H11N/c1-7-5-3-2-4-6(7)8;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-4-2-3-5-6/h2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-5H2,1H3.
What are the key properties of 4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one has a molecular weight of 497.77 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one is sourced from PubChem (CID 158231288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).