(4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C17H24N4O2 — CID 95289665

IUPAC(4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cnn([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)c1
InChIInChI=1S/C17H24N4O2/c1-12-8-18-21(9-12)15-3-2-6-19(11-15)17(23)13-7-16(22)20(10-13)14-4-5-14/h8-9,13-15H,2-7,10-11H2,1H3/t13-,15+/m1/s1
InChIKeyBBAFGRGJSNXBNH-HIFRSBDPSA-N
MW316.41 g/mol
LogP1.37
Rot. Bonds3

About (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95289665) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95289665
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cnn([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)c1
InChIInChI=1S/C17H24N4O2/c1-12-8-18-21(9-12)15-3-2-6-19(11-15)17(23)13-7-16(22)20(10-13)14-4-5-14/h8-9,13-15H,2-7,10-11H2,1H3/t13-,15+/m1/s1
InChIKeyBBAFGRGJSNXBNH-HIFRSBDPSA-N
XLogP1.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-1-cyclopentyl-4-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95336680
1-cyclopropyl-4-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71926859
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
1-[3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 136543837
(4R)-1-cyclopropyl-4-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 94526728
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]methanone
CID 95284553
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881453
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
1-cyclopropyl-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43422106
ethyl (3S)-1-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9364684
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
ethyl (3S)-1-[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018624

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 95289665) is (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one is Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)c1.
What is the InChIKey of (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BBAFGRGJSNXBNH-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-8-18-21(9-12)15-3-2-6-19(11-15)17(23)13-7-16(22)20(10-13)14-4-5-14/h8-9,13-15H,2-7,10-11H2,1H3/t13-,15+/m1/s1.
What are the key properties of (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95289665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).