1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride

C16H25ClFN3O — CID 120848161

IUPAC1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)(N)CN1CCC(C(=O)Nc2cccc(F)c2)CC1.Cl
InChIInChI=1S/C16H24FN3O.ClH/c1-16(2,18)11-20-8-6-12(7-9-20)15(21)19-14-5-3-4-13(17)10-14;/h3-5,10,12H,6-9,11,18H2,1-2H3,(H,19,21);1H
InChIKeyXAGHMOLXOSYWQP-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride

1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120848161) has the molecular formula C16H25ClFN3O and a molecular weight of 329.85 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120848161
Molecular FormulaC16H25ClFN3O
Molecular Weight329.85 g/mol
Exact Mass329.17
IUPAC Name1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)(N)CN1CCC(C(=O)Nc2cccc(F)c2)CC1.Cl
InChIInChI=1S/C16H24FN3O.ClH/c1-16(2,18)11-20-8-6-12(7-9-20)15(21)19-14-5-3-4-13(17)10-14;/h3-5,10,12H,6-9,11,18H2,1-2H3,(H,19,21);1H
InChIKeyXAGHMOLXOSYWQP-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 71869057
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314077
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
1-[[1-(2-amino-2-methylpropyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120848105
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 46381335
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 75471909

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride (CID 120848161) is 1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride is CC(C)(N)CN1CCC(C(=O)Nc2cccc(F)c2)CC1.Cl.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is XAGHMOLXOSYWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.ClH/c1-16(2,18)11-20-8-6-12(7-9-20)15(21)19-14-5-3-4-13(17)10-14;/h3-5,10,12H,6-9,11,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120848161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).