4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid

C14H24N2O4 — CID 126446645

IUPAC4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c17-13(3-4-14(18)19)16-5-1-2-12(11-16)10-15-6-8-20-9-7-15/h12H,1-11H2,(H,18,19)/t12-/m1/s1
InChIKeyJTPZEQCFVBZTFS-GFCCVEGCSA-N
MW284.36 g/mol
LogP0.42
Rot. Bonds5

About 4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid

4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 126446645) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID126446645
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c17-13(3-4-14(18)19)16-5-1-2-12(11-16)10-15-6-8-20-9-7-15/h12H,1-11H2,(H,18,19)/t12-/m1/s1
InChIKeyJTPZEQCFVBZTFS-GFCCVEGCSA-N
XLogP0.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982627
2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 43590262
3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid
CID 68707014
2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 91793315
4-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 126451472
4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 126802070
3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 54876000

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid (CID 126446645) is 4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCC[C@H](CN2CCOCC2)C1.
What is the InChIKey of 4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is JTPZEQCFVBZTFS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13(3-4-14(18)19)16-5-1-2-12(11-16)10-15-6-8-20-9-7-15/h12H,1-11H2,(H,18,19)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid?
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 126446645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).