(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one

C24H33N5O2 — CID 51924712

IUPAC(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C24H33N5O2/c1-16-9-8-10-17(2)28(16)21(30)15-27-14-13-25-24(31)23(27)22-18(3)26-29(19(22)4)20-11-6-5-7-12-20/h5-7,11-12,16-17,23H,8-10,13-15H2,1-4H3,(H,25,31)/t16-,17+,23-/m1/s1
InChIKeyJHBRDQMEVFMCGE-SAHWJRBASA-N
MW423.56 g/mol
LogP2.75
Rot. Bonds4

About (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one

(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 51924712) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID51924712
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C24H33N5O2/c1-16-9-8-10-17(2)28(16)21(30)15-27-14-13-25-24(31)23(27)22-18(3)26-29(19(22)4)20-11-6-5-7-12-20/h5-7,11-12,16-17,23H,8-10,13-15H2,1-4H3,(H,25,31)/t16-,17+,23-/m1/s1
InChIKeyJHBRDQMEVFMCGE-SAHWJRBASA-N
XLogP2.75
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one (CID 51924712) is (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one is Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is JHBRDQMEVFMCGE-SAHWJRBASA-N. The full InChI is InChI=1S/C24H33N5O2/c1-16-9-8-10-17(2)28(16)21(30)15-27-14-13-25-24(31)23(27)22-18(3)26-29(19(22)4)20-11-6-5-7-12-20/h5-7,11-12,16-17,23H,8-10,13-15H2,1-4H3,(H,25,31)/t16-,17+,23-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one?
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 423.56 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 51924712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).