N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride

C18H27ClF2N2O — CID 119701530

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)C(C)c1ccc(F)c(F)c1)C1CCCNC1.Cl
InChIInChI=1S/C18H26F2N2O.ClH/c1-12(15-5-4-8-21-11-15)9-18(23)22(3)13(2)14-6-7-16(19)17(20)10-14;/h6-7,10,12-13,15,21H,4-5,8-9,11H2,1-3H3;1H
InChIKeyGQDHIAICMXMHSU-UHFFFAOYSA-N
MW360.88 g/mol
LogP3.93
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119701530) has the molecular formula C18H27ClF2N2O and a molecular weight of 360.88 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119701530
Molecular FormulaC18H27ClF2N2O
Molecular Weight360.88 g/mol
Exact Mass360.18
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)C(C)c1ccc(F)c(F)c1)C1CCCNC1.Cl
InChIInChI=1S/C18H26F2N2O.ClH/c1-12(15-5-4-8-21-11-15)9-18(23)22(3)13(2)14-6-7-16(19)17(20)10-14;/h6-7,10,12-13,15,21H,4-5,8-9,11H2,1-3H3;1H
InChIKeyGQDHIAICMXMHSU-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119783519
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119705070
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630
N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717403
N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide
CID 155960793
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
CID 81048284
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride (CID 119701530) is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)N(C)C(C)c1ccc(F)c(F)c1)C1CCCNC1.Cl.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is GQDHIAICMXMHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O.ClH/c1-12(15-5-4-8-21-11-15)9-18(23)22(3)13(2)14-6-7-16(19)17(20)10-14;/h6-7,10,12-13,15,21H,4-5,8-9,11H2,1-3H3;1H.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 360.88 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119701530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).