(3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one

C17H23N5O2S — CID 99774916

IUPAC(3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one
SMILESCc1csc([C@H]2CN([C@@H]3CCCN(c4ccn(C)n4)C3=O)CCO2)n1
InChIInChI=1S/C17H23N5O2S/c1-12-11-25-16(18-12)14-10-21(8-9-24-14)13-4-3-6-22(17(13)23)15-5-7-20(2)19-15/h5,7,11,13-14H,3-4,6,8-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyCFZYBTARKBWRRG-ZIAGYGMSSA-N
MW361.47 g/mol
LogP1.75
Rot. Bonds3

About (3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one

(3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one (PubChem CID 99774916) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one
PubChem CID99774916
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name(3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one
SMILESCc1csc([C@H]2CN([C@@H]3CCCN(c4ccn(C)n4)C3=O)CCO2)n1
InChIInChI=1S/C17H23N5O2S/c1-12-11-25-16(18-12)14-10-21(8-9-24-14)13-4-3-6-22(17(13)23)15-5-7-20(2)19-15/h5,7,11,13-14H,3-4,6,8-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyCFZYBTARKBWRRG-ZIAGYGMSSA-N
XLogP1.75
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one?
The IUPAC name of (3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one (CID 99774916) is (3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one.
What is the SMILES notation for (3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one?
The canonical SMILES for (3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one is Cc1csc([C@H]2CN([C@@H]3CCCN(c4ccn(C)n4)C3=O)CCO2)n1.
What is the InChIKey of (3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one?
The InChIKey is CFZYBTARKBWRRG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-11-25-16(18-12)14-10-21(8-9-24-14)13-4-3-6-22(17(13)23)15-5-7-20(2)19-15/h5,7,11,13-14H,3-4,6,8-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one?
(3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one has a molecular weight of 361.47 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methylpyrazol-3-yl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 99774916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).