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

C14H19ClF2N2O — CID 119708033

IUPACN-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCNCC1)NCc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O.ClH/c15-12-2-1-11(13(16)8-12)9-18-14(19)7-10-3-5-17-6-4-10;/h1-2,8,10,17H,3-7,9H2,(H,18,19);1H
InChIKeyIQLYPTVBIDBONY-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.39
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119708033) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID119708033
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCNCC1)NCc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O.ClH/c15-12-2-1-11(13(16)8-12)9-18-14(19)7-10-3-5-17-6-4-10;/h1-2,8,10,17H,3-7,9H2,(H,18,19);1H
InChIKeyIQLYPTVBIDBONY-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
N-[(2,4-dimethoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 63362840
N-[2-(3,5-difluorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119759116
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide
CID 114456992
N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
CID 166209181
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride
CID 21180652
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride (CID 119708033) is N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride is Cl.O=C(CC1CCNCC1)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is IQLYPTVBIDBONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c15-12-2-1-11(13(16)8-12)9-18-14(19)7-10-3-5-17-6-4-10;/h1-2,8,10,17H,3-7,9H2,(H,18,19);1H.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride?
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119708033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).