3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one

C14H27N3O2 — CID 64532966

IUPAC3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one
SMILESCCC1NCCN(CC2CN(C(C)C)CCO2)C1=O
InChIInChI=1S/C14H27N3O2/c1-4-13-14(18)17(6-5-15-13)10-12-9-16(11(2)3)7-8-19-12/h11-13,15H,4-10H2,1-3H3
InChIKeySJOCBHWRPMPGEV-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds4

About 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one

3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one (PubChem CID 64532966) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one
PubChem CID64532966
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one
SMILESCCC1NCCN(CC2CN(C(C)C)CCO2)C1=O
InChIInChI=1S/C14H27N3O2/c1-4-13-14(18)17(6-5-15-13)10-12-9-16(11(2)3)7-8-19-12/h11-13,15H,4-10H2,1-3H3
InChIKeySJOCBHWRPMPGEV-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one?
The IUPAC name of 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one (CID 64532966) is 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one is CCC1NCCN(CC2CN(C(C)C)CCO2)C1=O.
What is the InChIKey of 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one?
The InChIKey is SJOCBHWRPMPGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-13-14(18)17(6-5-15-13)10-12-9-16(11(2)3)7-8-19-12/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one?
3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one has a molecular weight of 269.39 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 64532966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).