(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one

C19H30N6O3 — CID 97346629

IUPAC(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one
SMILESCc1cc(N2CCC[C@H](N3CCN(C(=O)N4CCOCC4)CC3)C2=O)n(C)n1
InChIInChI=1S/C19H30N6O3/c1-15-14-17(21(2)20-15)25-5-3-4-16(18(25)26)22-6-8-23(9-7-22)19(27)24-10-12-28-13-11-24/h14,16H,3-13H2,1-2H3/t16-/m0/s1
InChIKeyWVGNACSHGAEICP-INIZCTEOSA-N
MW390.49 g/mol
LogP0.29
Rot. Bonds2

About (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one

(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one (PubChem CID 97346629) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one
PubChem CID97346629
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC Name(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one
SMILESCc1cc(N2CCC[C@H](N3CCN(C(=O)N4CCOCC4)CC3)C2=O)n(C)n1
InChIInChI=1S/C19H30N6O3/c1-15-14-17(21(2)20-15)25-5-3-4-16(18(25)26)22-6-8-23(9-7-22)19(27)24-10-12-28-13-11-24/h14,16H,3-13H2,1-2H3/t16-/m0/s1
InChIKeyWVGNACSHGAEICP-INIZCTEOSA-N
XLogP0.29
TPSA74.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one with MolForge

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one
CID 75475434
4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 75475560
(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
CID 97346624
3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 86770898
3-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperazin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
CID 166423238
4-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]sulfonylbutanenitrile
CID 97346626
2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97346442
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidin-2-one
CID 86770894
(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide
CID 124618097
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide
CID 75494366
(3R)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 97317129
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide
CID 75512322

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one?
The IUPAC name of (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one (CID 97346629) is (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one.
What is the SMILES notation for (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one?
The canonical SMILES for (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one is Cc1cc(N2CCC[C@H](N3CCN(C(=O)N4CCOCC4)CC3)C2=O)n(C)n1.
What is the InChIKey of (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one?
The InChIKey is WVGNACSHGAEICP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N6O3/c1-15-14-17(21(2)20-15)25-5-3-4-16(18(25)26)22-6-8-23(9-7-22)19(27)24-10-12-28-13-11-24/h14,16H,3-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one?
(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one has a molecular weight of 390.49 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one is sourced from PubChem (CID 97346629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).