1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione

C19H28FN5O2 — CID 13254321

IUPAC1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCCCN2CCN(c3ncc(F)cn3)CC2)C(=O)C1
InChIInChI=1S/C19H28FN5O2/c1-19(2)11-16(26)25(17(27)12-19)6-4-3-5-23-7-9-24(10-8-23)18-21-13-15(20)14-22-18/h13-14H,3-12H2,1-2H3
InChIKeyLQZNZOFFHWVJSO-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.69
Rot. Bonds6

About 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione

1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 13254321) has the molecular formula C19H28FN5O2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID13254321
Molecular FormulaC19H28FN5O2
Molecular Weight377.46 g/mol
Exact Mass377.22
IUPAC Name1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCCCN2CCN(c3ncc(F)cn3)CC2)C(=O)C1
InChIInChI=1S/C19H28FN5O2/c1-19(2)11-16(26)25(17(27)12-19)6-4-3-5-23-7-9-24(10-8-23)18-21-13-15(20)14-22-18/h13-14H,3-12H2,1-2H3
InChIKeyLQZNZOFFHWVJSO-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione (CID 13254321) is 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(CCCCN2CCN(c3ncc(F)cn3)CC2)C(=O)C1.
What is the InChIKey of 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is LQZNZOFFHWVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O2/c1-19(2)11-16(26)25(17(27)12-19)6-4-3-5-23-7-9-24(10-8-23)18-21-13-15(20)14-22-18/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione?
1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 377.46 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 13254321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).