N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide

C16H21N5O3 — CID 155218191

IUPACN-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide
SMILESO=C1CCC(NC(=O)Cc2cncc(N3CCNCC3)c2)C(=O)N1
InChIInChI=1S/C16H21N5O3/c22-14-2-1-13(16(24)20-14)19-15(23)8-11-7-12(10-18-9-11)21-5-3-17-4-6-21/h7,9-10,13,17H,1-6,8H2,(H,19,23)(H,20,22,24)
InChIKeyDYMWXJLJJDGWKJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP-1.04
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide

N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide (PubChem CID 155218191) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide
PubChem CID155218191
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide
SMILESO=C1CCC(NC(=O)Cc2cncc(N3CCNCC3)c2)C(=O)N1
InChIInChI=1S/C16H21N5O3/c22-14-2-1-13(16(24)20-14)19-15(23)8-11-7-12(10-18-9-11)21-5-3-17-4-6-21/h7,9-10,13,17H,1-6,8H2,(H,19,23)(H,20,22,24)
InChIKeyDYMWXJLJJDGWKJ-UHFFFAOYSA-N
XLogP-1.04
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-1.04
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 N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide (CID 155218191) is N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide is O=C1CCC(NC(=O)Cc2cncc(N3CCNCC3)c2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide?
The InChIKey is DYMWXJLJJDGWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-14-2-1-13(16(24)20-14)19-15(23)8-11-7-12(10-18-9-11)21-5-3-17-4-6-21/h7,9-10,13,17H,1-6,8H2,(H,19,23)(H,20,22,24).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide?
N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide has a molecular weight of 331.38 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 155218191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).