3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid

C13H23N3O4 — CID 43396296

IUPAC3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H23N3O4/c17-12(16-7-9-20-10-8-16)11-15-5-3-14(4-6-15)2-1-13(18)19/h1-11H2,(H,18,19)
InChIKeyUYUHOAKIVVSNCM-UHFFFAOYSA-N
MW285.34 g/mol
LogP-1.06
Rot. Bonds5

About 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid

3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid (PubChem CID 43396296) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
PubChem CID43396296
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H23N3O4/c17-12(16-7-9-20-10-8-16)11-15-5-3-14(4-6-15)2-1-13(18)19/h1-11H2,(H,18,19)
InChIKeyUYUHOAKIVVSNCM-UHFFFAOYSA-N
XLogP-1.06
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 55515697
2-[4-(carboxymethyl)-10-(3-oxobutyl)-1-oxa-4,7,10-triazacyclododec-7-yl]acetic acid
CID 164874664
2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 21061564
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]acetic acid
CID 64616071
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid (CID 43396296) is 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid?
The InChIKey is UYUHOAKIVVSNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-12(16-7-9-20-10-8-16)11-15-5-3-14(4-6-15)2-1-13(18)19/h1-11H2,(H,18,19).
What are the key properties of 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid?
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of -1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43396296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).