N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride

C20H30ClF2N3O3 — CID 119652684

IUPACN-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.Cl
InChIInChI=1S/C20H29F2N3O3.ClH/c1-20(2,12-23)13-24(3)17(26)14-7-6-10-25(11-14)18(27)15-8-4-5-9-16(15)28-19(21)22;/h4-5,8-9,14,19H,6-7,10-13,23H2,1-3H3;1H
InChIKeyWMNYPWLDMXFVNX-UHFFFAOYSA-N
MW433.93 g/mol
LogP3.01
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119652684) has the molecular formula C20H30ClF2N3O3 and a molecular weight of 433.93 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119652684
Molecular FormulaC20H30ClF2N3O3
Molecular Weight433.93 g/mol
Exact Mass433.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.Cl
InChIInChI=1S/C20H29F2N3O3.ClH/c1-20(2,12-23)13-24(3)17(26)14-7-6-10-25(11-14)18(27)15-8-4-5-9-16(15)28-19(21)22;/h4-5,8-9,14,19H,6-7,10-13,23H2,1-3H3;1H
InChIKeyWMNYPWLDMXFVNX-UHFFFAOYSA-N
XLogP3.01
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.93
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119655035
3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid
CID 119233031
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78862780
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
CID 119466370
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 119656331
1-acetyl-N-(3-amino-2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide
CID 119653194
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55638637

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride (CID 119652684) is N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is WMNYPWLDMXFVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O3.ClH/c1-20(2,12-23)13-24(3)17(26)14-7-6-10-25(11-14)18(27)15-8-4-5-9-16(15)28-19(21)22;/h4-5,8-9,14,19H,6-7,10-13,23H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 433.93 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119652684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).