1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one

C18H28N4O2 — CID 70767195

IUPAC1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCc1[nH]nc(CCC(=O)N2CCC(CN3CCCC3=O)CC2)c1C
InChIInChI=1S/C18H28N4O2/c1-13-14(2)19-20-16(13)5-6-18(24)21-10-7-15(8-11-21)12-22-9-3-4-17(22)23/h15H,3-12H2,1-2H3,(H,19,20)
InChIKeyKYKBGZDLKZUBIZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.82
Rot. Bonds5

About 1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 70767195) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID70767195
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCc1[nH]nc(CCC(=O)N2CCC(CN3CCCC3=O)CC2)c1C
InChIInChI=1S/C18H28N4O2/c1-13-14(2)19-20-16(13)5-6-18(24)21-10-7-15(8-11-21)12-22-9-3-4-17(22)23/h15H,3-12H2,1-2H3,(H,19,20)
InChIKeyKYKBGZDLKZUBIZ-UHFFFAOYSA-N
XLogP1.82
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 70767195) is 1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one is Cc1[nH]nc(CCC(=O)N2CCC(CN3CCCC3=O)CC2)c1C.
What is the InChIKey of 1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is KYKBGZDLKZUBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-14(2)19-20-16(13)5-6-18(24)21-10-7-15(8-11-21)12-22-9-3-4-17(22)23/h15H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 70767195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).