N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide

C18H26FN3O — CID 124751259

IUPACN-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide
SMILESCc1cc(F)ccc1NC(=O)CN1CC(N2CCCC[C@@H]2C)C1
InChIInChI=1S/C18H26FN3O/c1-13-9-15(19)6-7-17(13)20-18(23)12-21-10-16(11-21)22-8-4-3-5-14(22)2/h6-7,9,14,16H,3-5,8,10-12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyGCDZBCCIFPXUPH-AWEZNQCLSA-N
MW319.42 g/mol
LogP2.63
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide

N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide (PubChem CID 124751259) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide
PubChem CID124751259
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide
SMILESCc1cc(F)ccc1NC(=O)CN1CC(N2CCCC[C@@H]2C)C1
InChIInChI=1S/C18H26FN3O/c1-13-9-15(19)6-7-17(13)20-18(23)12-21-10-16(11-21)22-8-4-3-5-14(22)2/h6-7,9,14,16H,3-5,8,10-12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyGCDZBCCIFPXUPH-AWEZNQCLSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
CID 124844222
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide
CID 124846510
N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301
2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide
CID 25265380
N-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17282582
3-[1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45179339
3-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 42286411
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903638

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide (CID 124751259) is N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide is Cc1cc(F)ccc1NC(=O)CN1CC(N2CCCC[C@@H]2C)C1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide?
The InChIKey is GCDZBCCIFPXUPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-13-9-15(19)6-7-17(13)20-18(23)12-21-10-16(11-21)22-8-4-3-5-14(22)2/h6-7,9,14,16H,3-5,8,10-12H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide?
N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide has a molecular weight of 319.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide is sourced from PubChem (CID 124751259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).