3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one

C16H31N3O2 — CID 99837364

IUPAC3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one
SMILESCCCN1CCN(CCN2CCOC[C@@H]2C)C(C)(C)C1=O
InChIInChI=1S/C16H31N3O2/c1-5-6-18-8-10-19(16(3,4)15(18)20)9-7-17-11-12-21-13-14(17)2/h14H,5-13H2,1-4H3/t14-/m0/s1
InChIKeyJFBNTGQIWKRHIW-AWEZNQCLSA-N
MW297.44 g/mol
LogP1.04
Rot. Bonds5

About 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one

3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one (PubChem CID 99837364) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one
PubChem CID99837364
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one
SMILESCCCN1CCN(CCN2CCOC[C@@H]2C)C(C)(C)C1=O
InChIInChI=1S/C16H31N3O2/c1-5-6-18-8-10-19(16(3,4)15(18)20)9-7-17-11-12-21-13-14(17)2/h14H,5-13H2,1-4H3/t14-/m0/s1
InChIKeyJFBNTGQIWKRHIW-AWEZNQCLSA-N
XLogP1.04
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 56802300
CID 56802300
CID 75374977
CID 75374977
CID 45803767
CID 45803767
CID 16769381
CID 16769381
CID 45811018
CID 45811018
CID 56799483
CID 56799483
CID 164637206
CID 164637206
CID 141160123
CID 141160123
CID 12595675
CID 12595675
CID 199522
CID 199522
CID 84598924
CID 84598924
CID 133575292
CID 133575292

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one (CID 99837364) is 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one is CCCN1CCN(CCN2CCOC[C@@H]2C)C(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one?
The InChIKey is JFBNTGQIWKRHIW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-6-18-8-10-19(16(3,4)15(18)20)9-7-17-11-12-21-13-14(17)2/h14H,5-13H2,1-4H3/t14-/m0/s1.
What are the key properties of 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one?
3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one has a molecular weight of 297.44 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one is sourced from PubChem (CID 99837364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).