N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide

C15H17N3O5 — CID 108531851

IUPACN-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide
SMILESO=C(NC(=O)C1CCNCC1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O5/c19-13(9-3-5-16-6-4-9)18-15(21)14(20)17-10-1-2-11-12(7-10)23-8-22-11/h1-2,7,9,16H,3-6,8H2,(H,17,20)(H,18,19,21)
InChIKeyHMBCPAYGUUTFHY-UHFFFAOYSA-N
MW319.32 g/mol
LogP-0.00
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide

N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide (PubChem CID 108531851) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide
PubChem CID108531851
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide
SMILESO=C(NC(=O)C1CCNCC1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O5/c19-13(9-3-5-16-6-4-9)18-15(21)14(20)17-10-1-2-11-12(7-10)23-8-22-11/h1-2,7,9,16H,3-6,8H2,(H,17,20)(H,18,19,21)
InChIKeyHMBCPAYGUUTFHY-UHFFFAOYSA-N
XLogP-0.00
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamoylphenyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108530454
N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108530544
N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 4774594
N-(1,3-benzodioxol-5-yl)-1,1-dioxothiane-4-carboxamide
CID 110863226
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide
CID 108531049
N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide
CID 119668964
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119261589
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide (CID 108531851) is N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide is O=C(NC(=O)C1CCNCC1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide?
The InChIKey is HMBCPAYGUUTFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c19-13(9-3-5-16-6-4-9)18-15(21)14(20)17-10-1-2-11-12(7-10)23-8-22-11/h1-2,7,9,16H,3-6,8H2,(H,17,20)(H,18,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide?
N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide has a molecular weight of 319.32 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide is sourced from PubChem (CID 108531851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).