5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione

C18H25N5O3 — CID 72912139

IUPAC5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESCCCCn1ccnc1C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C18H25N5O3/c1-3-4-8-22-11-7-19-15(22)13-5-9-23(10-6-13)17(25)14-12-21(2)18(26)20-16(14)24/h7,11-13H,3-6,8-10H2,1-2H3,(H,20,24,26)
InChIKeyBHRKZPHHRMHNOC-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.09
Rot. Bonds5

About 5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione

5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione (PubChem CID 72912139) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
PubChem CID72912139
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESCCCCn1ccnc1C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C18H25N5O3/c1-3-4-8-22-11-7-19-15(22)13-5-9-23(10-6-13)17(25)14-12-21(2)18(26)20-16(14)24/h7,11-13H,3-6,8-10H2,1-2H3,(H,20,24,26)
InChIKeyBHRKZPHHRMHNOC-UHFFFAOYSA-N
XLogP1.09
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 72936622
2-(azepan-1-yl)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72854261
1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 97282923
3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97284614
3-[2-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72859867
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 70781021
(4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97114697
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 97143967
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 72854193
2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97285199

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione (CID 72912139) is 5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione is CCCCn1ccnc1C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is BHRKZPHHRMHNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-4-8-22-11-7-19-15(22)13-5-9-23(10-6-13)17(25)14-12-21(2)18(26)20-16(14)24/h7,11-13H,3-6,8-10H2,1-2H3,(H,20,24,26).
What are the key properties of 5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 72912139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).