N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride

C16H23ClF2N2O — CID 119717502

IUPACN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)CC1CCNCC1.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-11(14-10-13(17)3-4-15(14)18)20(2)16(21)9-12-5-7-19-8-6-12;/h3-4,10-12,19H,5-9H2,1-2H3;1H
InChIKeyJVMPNNRKPMBCFA-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.30
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119717502) has the molecular formula C16H23ClF2N2O and a molecular weight of 332.82 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID119717502
Molecular FormulaC16H23ClF2N2O
Molecular Weight332.82 g/mol
Exact Mass332.15
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)CC1CCNCC1.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-11(14-10-13(17)3-4-15(14)18)20(2)16(21)9-12-5-7-19-8-6-12;/h3-4,10-12,19H,5-9H2,1-2H3;1H
InChIKeyJVMPNNRKPMBCFA-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119716831
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 79853913
1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906884
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 61029614
N-methyl-2-piperidin-4-yl-N-propan-2-ylacetamide
CID 24690049
N-[1-(2,5-difluorophenyl)ethyl]-N-methylhexanamide
CID 86925812
N-[1-(2,5-difluorophenyl)ethyl]-N-methylazepane-2-carboxamide
CID 64562272
cis-(1S,3R)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124678581
trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124515814

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride (CID 119717502) is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride is CC(c1cc(F)ccc1F)N(C)C(=O)CC1CCNCC1.Cl.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is JVMPNNRKPMBCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O.ClH/c1-11(14-10-13(17)3-4-15(14)18)20(2)16(21)9-12-5-7-19-8-6-12;/h3-4,10-12,19H,5-9H2,1-2H3;1H.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 332.82 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119717502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).