1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione

C19H25N5O3 — CID 146092841

IUPAC1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCC(N2CCNCC2)C1
InChIInChI=1S/C19H25N5O3/c25-17(23-9-3-4-14(12-23)22-10-7-20-8-11-22)13-24-16-6-2-1-5-15(16)18(26)21-19(24)27/h1-2,5-6,14,20H,3-4,7-13H2,(H,21,26,27)
InChIKeyPZDWHIREMFQLBJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP-0.41
Rot. Bonds3

About 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione

1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione (PubChem CID 146092841) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione
PubChem CID146092841
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCC(N2CCNCC2)C1
InChIInChI=1S/C19H25N5O3/c25-17(23-9-3-4-14(12-23)22-10-7-20-8-11-22)13-24-16-6-2-1-5-15(16)18(26)21-19(24)27/h1-2,5-6,14,20H,3-4,7-13H2,(H,21,26,27)
InChIKeyPZDWHIREMFQLBJ-UHFFFAOYSA-N
XLogP-0.41
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione with MolForge

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Related Compounds

10-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]acridin-9-one;hydrochloride
CID 120996346
1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17437474
1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 36865914
1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154738311
1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 30470000
1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154850217
3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 127494531
1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 120994925
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-piperazin-1-ylethanone
CID 55166951
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
1-methyl-3-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]benzimidazol-2-one;hydrochloride
CID 120995124

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione?
The IUPAC name of 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione (CID 146092841) is 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione is O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCC(N2CCNCC2)C1.
What is the InChIKey of 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione?
The InChIKey is PZDWHIREMFQLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-17(23-9-3-4-14(12-23)22-10-7-20-8-11-22)13-24-16-6-2-1-5-15(16)18(26)21-19(24)27/h1-2,5-6,14,20H,3-4,7-13H2,(H,21,26,27).
What are the key properties of 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione?
1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 146092841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).