5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione

C18H25N5O3 — CID 56722272

IUPAC5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H25N5O3/c1-11(2)14-8-15(21-20-14)13-4-6-22(7-5-13)16(24)10-23-9-12(3)17(25)19-18(23)26/h8-9,11,13H,4-7,10H2,1-3H3,(H,20,21)(H,19,25,26)
InChIKeyLIAUXLRCOUAHFG-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.10
Rot. Bonds4

About 5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione

5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 56722272) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione
PubChem CID56722272
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H25N5O3/c1-11(2)14-8-15(21-20-14)13-4-6-22(7-5-13)16(24)10-23-9-12(3)17(25)19-18(23)26/h8-9,11,13H,4-7,10H2,1-3H3,(H,20,21)(H,19,25,26)
InChIKeyLIAUXLRCOUAHFG-UHFFFAOYSA-N
XLogP1.10
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione (CID 56722272) is 5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione?
The InChIKey is LIAUXLRCOUAHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-11(2)14-8-15(21-20-14)13-4-6-22(7-5-13)16(24)10-23-9-12(3)17(25)19-18(23)26/h8-9,11,13H,4-7,10H2,1-3H3,(H,20,21)(H,19,25,26).
What are the key properties of 5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-oxo-2-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56722272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).