4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid

C17H20N2O5 — CID 126793187

IUPAC4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)CCO1
InChIInChI=1S/C17H20N2O5/c20-15-3-1-2-8-19(15)13-6-4-12(5-7-13)16(21)18-9-10-24-14(11-18)17(22)23/h4-7,14H,1-3,8-11H2,(H,22,23)
InChIKeySRWKGZSXKOVYIC-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.13
Rot. Bonds3

About 4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid

4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid (PubChem CID 126793187) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid
PubChem CID126793187
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)CCO1
InChIInChI=1S/C17H20N2O5/c20-15-3-1-2-8-19(15)13-6-4-12(5-7-13)16(21)18-9-10-24-14(11-18)17(22)23/h4-7,14H,1-3,8-11H2,(H,22,23)
InChIKeySRWKGZSXKOVYIC-UHFFFAOYSA-N
XLogP1.13
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoyl]morpholine-2-carboxylic acid
CID 129468770
1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 42943561
4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxylic acid
CID 119357981
1-[4-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 38372185
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060
4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid
CID 119238696
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699
(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 125120657
1-[4-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 3823221
(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 129415319

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid (CID 126793187) is 4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)CCO1.
What is the InChIKey of 4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is SRWKGZSXKOVYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-15-3-1-2-8-19(15)13-6-4-12(5-7-13)16(21)18-9-10-24-14(11-18)17(22)23/h4-7,14H,1-3,8-11H2,(H,22,23).
What are the key properties of 4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid?
4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 126793187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).