1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide

C16H21N3O4 — CID 108503193

IUPAC1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)NCCc2ccc(O)cc2)CC1
InChIInChI=1S/C16H21N3O4/c17-14(21)12-6-9-19(10-7-12)16(23)15(22)18-8-5-11-1-3-13(20)4-2-11/h1-4,12,20H,5-10H2,(H2,17,21)(H,18,22)
InChIKeyWIPMDNBZHKRSAE-UHFFFAOYSA-N
MW319.36 g/mol
LogP-0.23
Rot. Bonds4

About 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide

1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 108503193) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID108503193
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)NCCc2ccc(O)cc2)CC1
InChIInChI=1S/C16H21N3O4/c17-14(21)12-6-9-19(10-7-12)16(23)15(22)18-8-5-11-1-3-13(20)4-2-11/h1-4,12,20H,5-10H2,(H2,17,21)(H,18,22)
InChIKeyWIPMDNBZHKRSAE-UHFFFAOYSA-N
XLogP-0.23
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108503201
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-2-oxoacetamide
CID 108503184
1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44902165
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 108506628
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 30126755
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 71946894
1-[(Z)-2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]piperidine-4-carboxamide
CID 47086138
(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94109320
2-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506198

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide (CID 108503193) is 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C(=O)NCCc2ccc(O)cc2)CC1.
What is the InChIKey of 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is WIPMDNBZHKRSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c17-14(21)12-6-9-19(10-7-12)16(23)15(22)18-8-5-11-1-3-13(20)4-2-11/h1-4,12,20H,5-10H2,(H2,17,21)(H,18,22).
What are the key properties of 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 108503193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).