1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one

C18H26N6O3 — CID 56702577

IUPAC1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
SMILESCCn1c(C2CCCN(C(=O)CCn3c(C)cc(C)nc3=O)C2)n[nH]c1=O
InChIInChI=1S/C18H26N6O3/c1-4-23-16(20-21-18(23)27)14-6-5-8-22(11-14)15(25)7-9-24-13(3)10-12(2)19-17(24)26/h10,14H,4-9,11H2,1-3H3,(H,21,27)
InChIKeyAWEOLYNBEPOTPZ-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.56
Rot. Bonds5

About 1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one

1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 56702577) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
PubChem CID56702577
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
SMILESCCn1c(C2CCCN(C(=O)CCn3c(C)cc(C)nc3=O)C2)n[nH]c1=O
InChIInChI=1S/C18H26N6O3/c1-4-23-16(20-21-18(23)27)14-6-5-8-22(11-14)15(25)7-9-24-13(3)10-12(2)19-17(24)26/h10,14H,4-9,11H2,1-3H3,(H,21,27)
InChIKeyAWEOLYNBEPOTPZ-UHFFFAOYSA-N
XLogP0.56
TPSA105.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 136765923
3-[(3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95218585
3-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95228814
4-[(3R)-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 95198163
3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95200078
3-[(3S)-1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95205468
4-ethyl-3-[(3R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95221800
4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92602732
4-ethyl-3-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 136515190
7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56702148
1-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95860793
formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 166599051

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one (CID 56702577) is 1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one is CCn1c(C2CCCN(C(=O)CCn3c(C)cc(C)nc3=O)C2)n[nH]c1=O.
What is the InChIKey of 1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is AWEOLYNBEPOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-4-23-16(20-21-18(23)27)14-6-5-8-22(11-14)15(25)7-9-24-13(3)10-12(2)19-17(24)26/h10,14H,4-9,11H2,1-3H3,(H,21,27).
What are the key properties of 1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 374.45 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 56702577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).