N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride

C18H28ClFN2O — CID 119724701

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)CC1CCNCC1)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-18(2,3)17(14-4-6-15(19)7-5-14)21-16(22)12-13-8-10-20-11-9-13;/h4-7,13,17,20H,8-12H2,1-3H3,(H,21,22);1H
InChIKeyNATSSQMMMRHDNT-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.84
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119724701) has the molecular formula C18H28ClFN2O and a molecular weight of 342.89 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID119724701
Molecular FormulaC18H28ClFN2O
Molecular Weight342.89 g/mol
Exact Mass342.19
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)CC1CCNCC1)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-18(2,3)17(14-4-6-15(19)7-5-14)21-16(22)12-13-8-10-20-11-9-13;/h4-7,13,17,20H,8-12H2,1-3H3,(H,21,22);1H
InChIKeyNATSSQMMMRHDNT-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide
CID 61029465
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119724717
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-1-phenylpropyl)acetamide;hydrochloride
CID 119724650
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide
CID 119691647
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006
N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 63446253

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride (CID 119724701) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride is CC(C)(C)C(NC(=O)CC1CCNCC1)c1ccc(F)cc1.Cl.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is NATSSQMMMRHDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O.ClH/c1-18(2,3)17(14-4-6-15(19)7-5-14)21-16(22)12-13-8-10-20-11-9-13;/h4-7,13,17,20H,8-12H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119724701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).