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

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

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Related Compounds

1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24790910
1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24818911
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56707907
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 75443028
N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 84595015
[5-(2-Methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461851
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 110108975
3-(3,5-Dimethyl-1H-pyrazol-4-YL)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-YL]propan-1-one
CID 118740051
[5-(3-Methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 118742237
(1R*,5R*)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133115596

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).