N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide

C16H23F2N3O — CID 99935705

IUPACN-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESC[C@H](NC(=O)CN(C)C1CCNCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N3O/c1-11(12-7-13(17)9-14(18)8-12)20-16(22)10-21(2)15-3-5-19-6-4-15/h7-9,11,15,19H,3-6,10H2,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyYUIBSPAXAZIAIC-NSHDSACASA-N
MW311.38 g/mol
LogP1.83
Rot. Bonds5

About N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide

N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 99935705) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID99935705
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESC[C@H](NC(=O)CN(C)C1CCNCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N3O/c1-11(12-7-13(17)9-14(18)8-12)20-16(22)10-21(2)15-3-5-19-6-4-15/h7-9,11,15,19H,3-6,10H2,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyYUIBSPAXAZIAIC-NSHDSACASA-N
XLogP1.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
Ksp-IA
CID 24901494
(1S)-1-{[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}-2,2-dimethylpropylamine
CID 24901496
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
Simufilam
CID 46195331
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide (CID 99935705) is N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide is C[C@H](NC(=O)CN(C)C1CCNCC1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is YUIBSPAXAZIAIC-NSHDSACASA-N. The full InChI is InChI=1S/C16H23F2N3O/c1-11(12-7-13(17)9-14(18)8-12)20-16(22)10-21(2)15-3-5-19-6-4-15/h7-9,11,15,19H,3-6,10H2,1-2H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 311.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 99935705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).