2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide

C18H22FN3OS — CID 124721826

IUPAC2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide
SMILESCc1ncc(CN2CC[C@H](NC(=O)c3ccccc3F)[C@H](C)C2)s1
InChIInChI=1S/C18H22FN3OS/c1-12-10-22(11-14-9-20-13(2)24-14)8-7-17(12)21-18(23)15-5-3-4-6-16(15)19/h3-6,9,12,17H,7-8,10-11H2,1-2H3,(H,21,23)/t12-,17+/m1/s1
InChIKeyAIOPLLZVLIPHGT-PXAZEXFGSA-N
MW347.46 g/mol
LogP3.23
Rot. Bonds4

About 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide

2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 124721826) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide
PubChem CID124721826
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide
SMILESCc1ncc(CN2CC[C@H](NC(=O)c3ccccc3F)[C@H](C)C2)s1
InChIInChI=1S/C18H22FN3OS/c1-12-10-22(11-14-9-20-13(2)24-14)8-7-17(12)21-18(23)15-5-3-4-6-16(15)19/h3-6,9,12,17H,7-8,10-11H2,1-2H3,(H,21,23)/t12-,17+/m1/s1
InChIKeyAIOPLLZVLIPHGT-PXAZEXFGSA-N
XLogP3.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine
CID 97215807
(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 94247072
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide
CID 165475819
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-2-methylpentanamide
CID 165487235
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 120898400
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45177344
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 124776779
N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
CID 114505924
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 86773888

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide (CID 124721826) is 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide is Cc1ncc(CN2CC[C@H](NC(=O)c3ccccc3F)[C@H](C)C2)s1.
What is the InChIKey of 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is AIOPLLZVLIPHGT-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-12-10-22(11-14-9-20-13(2)24-14)8-7-17(12)21-18(23)15-5-3-4-6-16(15)19/h3-6,9,12,17H,7-8,10-11H2,1-2H3,(H,21,23)/t12-,17+/m1/s1.
What are the key properties of 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide?
2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 124721826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).