2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide

C19H26N4OS — CID 98854382

IUPAC2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCN1CCC[C@@H](N(C)CC(=O)N[C@H](c2ccccc2)c2nccs2)C1
InChIInChI=1S/C19H26N4OS/c1-22-11-6-9-16(13-22)23(2)14-17(24)21-18(19-20-10-12-25-19)15-7-4-3-5-8-15/h3-5,7-8,10,12,16,18H,6,9,11,13-14H2,1-2H3,(H,21,24)/t16-,18-/m1/s1
InChIKeyWOIZCILJJSARIQ-SJLPKXTDSA-N
MW358.51 g/mol
LogP2.37
Rot. Bonds6

About 2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 98854382) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID98854382
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCN1CCC[C@@H](N(C)CC(=O)N[C@H](c2ccccc2)c2nccs2)C1
InChIInChI=1S/C19H26N4OS/c1-22-11-6-9-16(13-22)23(2)14-17(24)21-18(19-20-10-12-25-19)15-7-4-3-5-8-15/h3-5,7-8,10,12,16,18H,6,9,11,13-14H2,1-2H3,(H,21,24)/t16-,18-/m1/s1
InChIKeyWOIZCILJJSARIQ-SJLPKXTDSA-N
XLogP2.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 98854382) is 2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide is CN1CCC[C@@H](N(C)CC(=O)N[C@H](c2ccccc2)c2nccs2)C1.
What is the InChIKey of 2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is WOIZCILJJSARIQ-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-22-11-6-9-16(13-22)23(2)14-17(24)21-18(19-20-10-12-25-19)15-7-4-3-5-8-15/h3-5,7-8,10,12,16,18H,6,9,11,13-14H2,1-2H3,(H,21,24)/t16-,18-/m1/s1.
What are the key properties of 2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 358.51 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 98854382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).