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

C19H31N3O2S — CID 25291684

IUPAC1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one
SMILESCC(C)c1csc(CN2CCC[C@H](CCC(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C19H31N3O2S/c1-15(2)17-14-25-18(20-17)13-21-7-3-4-16(12-21)5-6-19(23)22-8-10-24-11-9-22/h14-16H,3-13H2,1-2H3/t16-/m1/s1
InChIKeyMDYXWBPMWZCXAJ-MRXNPFEDSA-N
MW365.54 g/mol
LogP3.12
Rot. Bonds6

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

1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one (PubChem CID 25291684) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one
PubChem CID25291684
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one
SMILESCC(C)c1csc(CN2CCC[C@H](CCC(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C19H31N3O2S/c1-15(2)17-14-25-18(20-17)13-21-7-3-4-16(12-21)5-6-19(23)22-8-10-24-11-9-22/h14-16H,3-13H2,1-2H3/t16-/m1/s1
InChIKeyMDYXWBPMWZCXAJ-MRXNPFEDSA-N
XLogP3.12
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one (CID 25291684) is 1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one is CC(C)c1csc(CN2CCC[C@H](CCC(=O)N3CCOCC3)C2)n1.
What is the InChIKey of 1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one?
The InChIKey is MDYXWBPMWZCXAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-15(2)17-14-25-18(20-17)13-21-7-3-4-16(12-21)5-6-19(23)22-8-10-24-11-9-22/h14-16H,3-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one?
1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one has a molecular weight of 365.54 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one is sourced from PubChem (CID 25291684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).