2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid

C17H21N3O4 — CID 166900322

IUPAC2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(N3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C17H21N3O4/c21-15-7-10-20(17(24)18-15)14-3-1-12(2-4-14)13-5-8-19(9-6-13)11-16(22)23/h1-4,13H,5-11H2,(H,22,23)(H,18,21,24)
InChIKeyJLKPVZGTUGIBTK-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.40
Rot. Bonds4

About 2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid

2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid (PubChem CID 166900322) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid
PubChem CID166900322
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(N3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C17H21N3O4/c21-15-7-10-20(17(24)18-15)14-3-1-12(2-4-14)13-5-8-19(9-6-13)11-16(22)23/h1-4,13H,5-11H2,(H,22,23)(H,18,21,24)
InChIKeyJLKPVZGTUGIBTK-UHFFFAOYSA-N
XLogP1.40
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
tert-butyl 4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 170749549
2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid
CID 175526670
2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
CID 171108561
4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 23023749
2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid
CID 176508898
1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
CID 166947284
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione
CID 170737571
2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid
CID 175548556
2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetic acid
CID 156505877
2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
CID 166472394

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid (CID 166900322) is 2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(c2ccc(N3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid?
The InChIKey is JLKPVZGTUGIBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-15-7-10-20(17(24)18-15)14-3-1-12(2-4-14)13-5-8-19(9-6-13)11-16(22)23/h1-4,13H,5-11H2,(H,22,23)(H,18,21,24).
What are the key properties of 2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid?
2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid has a molecular weight of 331.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 166900322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).