(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one

C15H21N5OS — CID 99704217

IUPAC(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one
SMILESCN(CCc1nccs1)[C@H]1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C15H21N5OS/c1-18(9-6-14-16-7-11-22-14)12-4-3-8-20(15(12)21)13-5-10-19(2)17-13/h5,7,10-12H,3-4,6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyONMPRMBQYILTLT-LBPRGKRZSA-N
MW319.43 g/mol
LogP1.55
Rot. Bonds5

About (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one

(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one (PubChem CID 99704217) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one
PubChem CID99704217
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one
SMILESCN(CCc1nccs1)[C@H]1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C15H21N5OS/c1-18(9-6-14-16-7-11-22-14)12-4-3-8-20(15(12)21)13-5-10-19(2)17-13/h5,7,10-12H,3-4,6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyONMPRMBQYILTLT-LBPRGKRZSA-N
XLogP1.55
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one?
The IUPAC name of (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one (CID 99704217) is (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one.
What is the SMILES notation for (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one?
The canonical SMILES for (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one is CN(CCc1nccs1)[C@H]1CCCN(c2ccn(C)n2)C1=O.
What is the InChIKey of (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one?
The InChIKey is ONMPRMBQYILTLT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-18(9-6-14-16-7-11-22-14)12-4-3-8-20(15(12)21)13-5-10-19(2)17-13/h5,7,10-12H,3-4,6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one?
(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one has a molecular weight of 319.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]piperidin-2-one is sourced from PubChem (CID 99704217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).