5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione

C18H28N4O4 — CID 66737977

IUPAC5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
SMILESCc1cn(CCCCN2CCN(C(=O)C3CCCO3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O4/c1-14-13-22(18(25)19-16(14)23)7-3-2-6-20-8-10-21(11-9-20)17(24)15-5-4-12-26-15/h13,15H,2-12H2,1H3,(H,19,23,25)
InChIKeyJQWVQZQETAPBAJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP-0.05
Rot. Bonds6

About 5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione

5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione (PubChem CID 66737977) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
PubChem CID66737977
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
SMILESCc1cn(CCCCN2CCN(C(=O)C3CCCO3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O4/c1-14-13-22(18(25)19-16(14)23)7-3-2-6-20-8-10-21(11-9-20)17(24)15-5-4-12-26-15/h13,15H,2-12H2,1H3,(H,19,23,25)
InChIKeyJQWVQZQETAPBAJ-UHFFFAOYSA-N
XLogP-0.05
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51924438
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 43251431
6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913559
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 66737897
2-bromo-2-methyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 114327369
[4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 70950376
2-(1-methylpyrrol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110801246
N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464827

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione (CID 66737977) is 5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione is Cc1cn(CCCCN2CCN(C(=O)C3CCCO3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The InChIKey is JQWVQZQETAPBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-14-13-22(18(25)19-16(14)23)7-3-2-6-20-8-10-21(11-9-20)17(24)15-5-4-12-26-15/h13,15H,2-12H2,1H3,(H,19,23,25).
What are the key properties of 5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66737977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).