N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C16H24ClF2N3O2 — CID 119918578

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1.Cl
InChIInChI=1S/C16H23F2N3O2.ClH/c1-19-13-3-2-8-21(10-13)11-15(22)20-9-12-4-6-14(7-5-12)23-16(17)18;/h4-7,13,16,19H,2-3,8-11H2,1H3,(H,20,22);1H
InChIKeyUHNVPDWUZIBOSU-UHFFFAOYSA-N
MW363.84 g/mol
LogP2.01
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119918578) has the molecular formula C16H24ClF2N3O2 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119918578
Molecular FormulaC16H24ClF2N3O2
Molecular Weight363.84 g/mol
Exact Mass363.15
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1.Cl
InChIInChI=1S/C16H23F2N3O2.ClH/c1-19-13-3-2-8-21(10-13)11-15(22)20-9-12-4-6-14(7-5-12)23-16(17)18;/h4-7,13,16,19H,2-3,8-11H2,1H3,(H,20,22);1H
InChIKeyUHNVPDWUZIBOSU-UHFFFAOYSA-N
XLogP2.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119920092
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119919488
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 119919489
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 119919764
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921510
(3aS,6aR)-2-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680843
2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 95576076
2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119919709
2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 60703371
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119918578) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1.Cl.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is UHNVPDWUZIBOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2.ClH/c1-19-13-3-2-8-21(10-13)11-15(22)20-9-12-4-6-14(7-5-12)23-16(17)18;/h4-7,13,16,19H,2-3,8-11H2,1H3,(H,20,22);1H.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 363.84 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119918578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).