1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C18H28N4O2 — CID 70781458

IUPAC1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCC(CCn3cccn3)CC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-14(2)22-13-16(12-17(22)23)18(24)20-9-4-15(5-10-20)6-11-21-8-3-7-19-21/h3,7-8,14-16H,4-6,9-13H2,1-2H3
InChIKeyWAIMDZURMRILLB-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.77
Rot. Bonds5

About 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one

1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70781458) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID70781458
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCC(CCn3cccn3)CC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-14(2)22-13-16(12-17(22)23)18(24)20-9-4-15(5-10-20)6-11-21-8-3-7-19-21/h3,7-8,14-16H,4-6,9-13H2,1-2H3
InChIKeyWAIMDZURMRILLB-UHFFFAOYSA-N
XLogP1.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97126858
(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 25275352
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97110758
(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97147763
4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110888059
(4R)-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 97116586
(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 118789478
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one
CID 119646804
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 103900931
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 114680088
[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97193044
4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 106671002

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 70781458) is 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCC(CCn3cccn3)CC2)CC1=O.
What is the InChIKey of 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is WAIMDZURMRILLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(2)22-13-16(12-17(22)23)18(24)20-9-4-15(5-10-20)6-11-21-8-3-7-19-21/h3,7-8,14-16H,4-6,9-13H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70781458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).