2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride

C18H27ClFN3O2 — CID 69111007

IUPAC2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)N1CCC(c2cc(F)ccc2C(N)=O)CC1.Cl
InChIInChI=1S/C18H26FN3O2.ClH/c1-18(2,3)15(20)17(24)22-8-6-11(7-9-22)14-10-12(19)4-5-13(14)16(21)23;/h4-5,10-11,15H,6-9,20H2,1-3H3,(H2,21,23);1H/t15-;/m1./s1
InChIKeyJQZKAZKNXFEFGK-XFULWGLBSA-N
MW371.88 g/mol
LogP2.43
Rot. Bonds3

About 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride

2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride (PubChem CID 69111007) has the molecular formula C18H27ClFN3O2 and a molecular weight of 371.88 g/mol. Its IUPAC name is 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride
PubChem CID69111007
Molecular FormulaC18H27ClFN3O2
Molecular Weight371.88 g/mol
Exact Mass371.18
IUPAC Name2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)N1CCC(c2cc(F)ccc2C(N)=O)CC1.Cl
InChIInChI=1S/C18H26FN3O2.ClH/c1-18(2,3)15(20)17(24)22-8-6-11(7-9-22)14-10-12(19)4-5-13(14)16(21)23;/h4-5,10-11,15H,6-9,20H2,1-3H3,(H2,21,23);1H/t15-;/m1./s1
InChIKeyJQZKAZKNXFEFGK-XFULWGLBSA-N
XLogP2.43
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.88
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide
CID 69110936
(2S)-2-amino-1-[4-(2,4-difluoroanilino)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 67538923
1-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 69227173
(2S)-2-amino-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119692242
(2S)-2-amino-1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67529877
2-amino-3,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 77073242
(2S)-2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119769107
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride
CID 119727585
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897
2-amino-1-[7-[(4-fluorophenyl)methyl]-3,7-diazabicyclo[4.1.0]heptan-3-yl]-3,3-dimethylbutan-1-one
CID 142706635
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77309770

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride (CID 69111007) is 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)N1CCC(c2cc(F)ccc2C(N)=O)CC1.Cl.
What is the InChIKey of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride?
The InChIKey is JQZKAZKNXFEFGK-XFULWGLBSA-N. The full InChI is InChI=1S/C18H26FN3O2.ClH/c1-18(2,3)15(20)17(24)22-8-6-11(7-9-22)14-10-12(19)4-5-13(14)16(21)23;/h4-5,10-11,15H,6-9,20H2,1-3H3,(H2,21,23);1H/t15-;/m1./s1.
What are the key properties of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride?
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride has a molecular weight of 371.88 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 69111007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).