N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride

C20H32ClN3O3 — CID 119665267

IUPACN-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCCN(C(=O)COc2ccccc2)C1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-2-3-9-17(13-21)22-20(25)16-8-7-12-23(14-16)19(24)15-26-18-10-5-4-6-11-18;/h4-6,10-11,16-17H,2-3,7-9,12-15,21H2,1H3,(H,22,25);1H
InChIKeyZGRLYZIRYYOOOW-UHFFFAOYSA-N
MW397.95 g/mol
LogP2.36
Rot. Bonds9

About N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119665267) has the molecular formula C20H32ClN3O3 and a molecular weight of 397.95 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119665267
Molecular FormulaC20H32ClN3O3
Molecular Weight397.95 g/mol
Exact Mass397.21
IUPAC NameN-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCCN(C(=O)COc2ccccc2)C1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-2-3-9-17(13-21)22-20(25)16-8-7-12-23(14-16)19(24)15-26-18-10-5-4-6-11-18;/h4-6,10-11,16-17H,2-3,7-9,12-15,21H2,1H3,(H,22,25);1H
InChIKeyZGRLYZIRYYOOOW-UHFFFAOYSA-N
XLogP2.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide
CID 119605857
ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119543096
1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
N-[2-(4-aminophenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119547681
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403328
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-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride (CID 119665267) is N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride is CCCCC(CN)NC(=O)C1CCCN(C(=O)COc2ccccc2)C1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is ZGRLYZIRYYOOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3.ClH/c1-2-3-9-17(13-21)22-20(25)16-8-7-12-23(14-16)19(24)15-26-18-10-5-4-6-11-18;/h4-6,10-11,16-17H,2-3,7-9,12-15,21H2,1H3,(H,22,25);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119665267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).