1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide

C16H19N3O5 — CID 44902165

IUPAC1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H19N3O5/c17-14(20)11-3-5-19(6-4-11)16(22)15(21)18-8-10-1-2-12-13(7-10)24-9-23-12/h1-2,7,11H,3-6,8-9H2,(H2,17,20)(H,18,21)
InChIKeyPWPPPXUPMXMLBK-UHFFFAOYSA-N
MW333.34 g/mol
LogP-0.24
Rot. Bonds3

About 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide

1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 44902165) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID44902165
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H19N3O5/c17-14(20)11-3-5-19(6-4-11)16(22)15(21)18-8-10-1-2-12-13(7-10)24-9-23-12/h1-2,7,11H,3-6,8-9H2,(H2,17,20)(H,18,21)
InChIKeyPWPPPXUPMXMLBK-UHFFFAOYSA-N
XLogP-0.24
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507243
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44996912
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126
N-[[3-(aminomethyl)phenyl]methyl]-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoacetamide
CID 108519066
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224404
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108508619
N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51083402
2,2,2-trifluoroethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 17469999
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113004370
ethyl 4-(1,3-benzodioxol-5-ylmethylamino)piperidine-1-carboxylate
CID 2846590
1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108503193
1-(1,3-benzodioxol-5-ylmethyl)-3-(cyclopropanecarbonylamino)thiourea
CID 7941644

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide (CID 44902165) is 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is PWPPPXUPMXMLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c17-14(20)11-3-5-19(6-4-11)16(22)15(21)18-8-10-1-2-12-13(7-10)24-9-23-12/h1-2,7,11H,3-6,8-9H2,(H2,17,20)(H,18,21).
What are the key properties of 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 333.34 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 44902165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).