2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid

C14H25N3O4 — CID 66433532

IUPAC2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid
SMILESCN1CCN(C(=O)N2CCOC(CC(=O)O)C2)CC1(C)C
InChIInChI=1S/C14H25N3O4/c1-14(2)10-17(5-4-15(14)3)13(20)16-6-7-21-11(9-16)8-12(18)19/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyHCRGQZJCHGFSGF-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.31
Rot. Bonds2

About 2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid

2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66433532) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66433532
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid
SMILESCN1CCN(C(=O)N2CCOC(CC(=O)O)C2)CC1(C)C
InChIInChI=1S/C14H25N3O4/c1-14(2)10-17(5-4-15(14)3)13(20)16-6-7-21-11(9-16)8-12(18)19/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyHCRGQZJCHGFSGF-UHFFFAOYSA-N
XLogP0.31
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464
2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691
2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434819
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
CID 66419978
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid (CID 66433532) is 2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid is CN1CCN(C(=O)N2CCOC(CC(=O)O)C2)CC1(C)C.
What is the InChIKey of 2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is HCRGQZJCHGFSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2)10-17(5-4-15(14)3)13(20)16-6-7-21-11(9-16)8-12(18)19/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).