N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride

C18H26ClF2N3O3 — CID 119626021

IUPACN-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.Cl
InChIInChI=1S/C18H25F2N3O3.ClH/c1-18(2,21)11-22-15(24)12-6-5-9-23(10-12)16(25)13-7-3-4-8-14(13)26-17(19)20;/h3-4,7-8,12,17H,5-6,9-11,21H2,1-2H3,(H,22,24);1H
InChIKeyDLHXVCVNEPGKMU-UHFFFAOYSA-N
MW405.87 g/mol
LogP2.42
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119626021) has the molecular formula C18H26ClF2N3O3 and a molecular weight of 405.87 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119626021
Molecular FormulaC18H26ClF2N3O3
Molecular Weight405.87 g/mol
Exact Mass405.16
IUPAC NameN-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.Cl
InChIInChI=1S/C18H25F2N3O3.ClH/c1-18(2,21)11-22-15(24)12-6-5-9-23(10-12)16(25)13-7-3-4-8-14(13)26-17(19)20;/h3-4,7-8,12,17H,5-6,9-11,21H2,1-2H3,(H,22,24);1H
InChIKeyDLHXVCVNEPGKMU-UHFFFAOYSA-N
XLogP2.42
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.87
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate
CID 55638063
1-[2-(difluoromethoxy)benzoyl]-N-(2-methoxy-2-phenylethyl)piperidine-3-carboxamide
CID 60543823
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56557781
N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119652684
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 60610187
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 60611629
1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 42958498
1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide
CID 55637973

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride (CID 119626021) is N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride is CC(C)(N)CNC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is DLHXVCVNEPGKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O3.ClH/c1-18(2,21)11-22-15(24)12-6-5-9-23(10-12)16(25)13-7-3-4-8-14(13)26-17(19)20;/h3-4,7-8,12,17H,5-6,9-11,21H2,1-2H3,(H,22,24);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 405.87 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119626021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).