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

C16H21N5O2S — CID 99774918

IUPAC(3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one
SMILESCn1ccc(N2CCC[C@H](N3CCO[C@H](c4nccs4)C3)C2=O)n1
InChIInChI=1S/C16H21N5O2S/c1-19-7-4-14(18-19)21-6-2-3-12(16(21)22)20-8-9-23-13(11-20)15-17-5-10-24-15/h4-5,7,10,12-13H,2-3,6,8-9,11H2,1H3/t12-,13-/m0/s1
InChIKeyNHRXINFYMDGPRV-STQMWFEESA-N
MW347.44 g/mol
LogP1.45
Rot. Bonds3

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

(3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one (PubChem CID 99774918) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is (3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one
PubChem CID99774918
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name(3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one
SMILESCn1ccc(N2CCC[C@H](N3CCO[C@H](c4nccs4)C3)C2=O)n1
InChIInChI=1S/C16H21N5O2S/c1-19-7-4-14(18-19)21-6-2-3-12(16(21)22)20-8-9-23-13(11-20)15-17-5-10-24-15/h4-5,7,10,12-13H,2-3,6,8-9,11H2,1H3/t12-,13-/m0/s1
InChIKeyNHRXINFYMDGPRV-STQMWFEESA-N
XLogP1.45
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one?
The IUPAC name of (3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one (CID 99774918) is (3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one.
What is the SMILES notation for (3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one?
The canonical SMILES for (3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one is Cn1ccc(N2CCC[C@H](N3CCO[C@H](c4nccs4)C3)C2=O)n1.
What is the InChIKey of (3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one?
The InChIKey is NHRXINFYMDGPRV-STQMWFEESA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-19-7-4-14(18-19)21-6-2-3-12(16(21)22)20-8-9-23-13(11-20)15-17-5-10-24-15/h4-5,7,10,12-13H,2-3,6,8-9,11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one?
(3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one has a molecular weight of 347.44 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylpyrazol-3-yl)-3-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 99774918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).