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

C18H28ClN3O3 — CID 119626264

IUPACN-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1CCCN(C(=O)COc2ccccc2)C1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-18(2,19)13-20-17(23)14-7-6-10-21(11-14)16(22)12-24-15-8-4-3-5-9-15;/h3-5,8-9,14H,6-7,10-13,19H2,1-2H3,(H,20,23);1H
InChIKeyJESFGETVZOGMRW-UHFFFAOYSA-N
MW369.89 g/mol
LogP1.58
Rot. Bonds6

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

N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119626264) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119626264
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC NameN-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1CCCN(C(=O)COc2ccccc2)C1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-18(2,19)13-20-17(23)14-7-6-10-21(11-14)16(22)12-24-15-8-4-3-5-9-15;/h3-5,8-9,14H,6-7,10-13,19H2,1-2H3,(H,20,23);1H
InChIKeyJESFGETVZOGMRW-UHFFFAOYSA-N
XLogP1.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-[2-(4-aminophenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119547681
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide
CID 119605857
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119510299
N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119665267
1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119543096
N-(2-aminoethyl)-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119481359
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
N-(2-aminoethyl)-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119480106
2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid
CID 120518656
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride (CID 119626264) is N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride is CC(C)(N)CNC(=O)C1CCCN(C(=O)COc2ccccc2)C1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is JESFGETVZOGMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-18(2,19)13-20-17(23)14-7-6-10-21(11-14)16(22)12-24-15-8-4-3-5-9-15;/h3-5,8-9,14H,6-7,10-13,19H2,1-2H3,(H,20,23);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.58, 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-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119626264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).