2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid

C17H22N4O4 — CID 171108561

IUPAC2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(NC3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C17H22N4O4/c22-15-4-2-13(17(25)20-15)19-14-3-1-12(9-18-14)11-5-7-21(8-6-11)10-16(23)24/h1,3,9,11,13H,2,4-8,10H2,(H,18,19)(H,23,24)(H,20,22,25)
InChIKeyHNNZJMXIPXOZLX-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.56
Rot. Bonds5

About 2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid

2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid (PubChem CID 171108561) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
PubChem CID171108561
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(NC3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C17H22N4O4/c22-15-4-2-13(17(25)20-15)19-14-3-1-12(9-18-14)11-5-7-21(8-6-11)10-16(23)24/h1,3,9,11,13H,2,4-8,10H2,(H,18,19)(H,23,24)(H,20,22,25)
InChIKeyHNNZJMXIPXOZLX-UHFFFAOYSA-N
XLogP0.56
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid (CID 171108561) is 2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(c2ccc(NC3CCC(=O)NC3=O)nc2)CC1.
What is the InChIKey of 2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid?
The InChIKey is HNNZJMXIPXOZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c22-15-4-2-13(17(25)20-15)19-14-3-1-12(9-18-14)11-5-7-21(8-6-11)10-16(23)24/h1,3,9,11,13H,2,4-8,10H2,(H,18,19)(H,23,24)(H,20,22,25).
What are the key properties of 2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid?
2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid has a molecular weight of 346.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 171108561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).