N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride

C22H28ClN3O3 — CID 119528943

IUPACN-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H27N3O3.ClH/c23-20(17-7-3-1-4-8-17)15-24-22(27)18-11-13-25(14-12-18)21(26)16-28-19-9-5-2-6-10-19;/h1-10,18,20H,11-16,23H2,(H,24,27);1H
InChIKeySBIBUZPXEKVAJA-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.54
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119528943) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119528943
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H27N3O3.ClH/c23-20(17-7-3-1-4-8-17)15-24-22(27)18-11-13-25(14-12-18)21(26)16-28-19-9-5-2-6-10-19;/h1-10,18,20H,11-16,23H2,(H,24,27);1H
InChIKeySBIBUZPXEKVAJA-UHFFFAOYSA-N
XLogP2.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55634987
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride (CID 119528943) is N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride is Cl.NC(CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is SBIBUZPXEKVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c23-20(17-7-3-1-4-8-17)15-24-22(27)18-11-13-25(14-12-18)21(26)16-28-19-9-5-2-6-10-19;/h1-10,18,20H,11-16,23H2,(H,24,27);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119528943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).