N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide

C17H22N2O4 — CID 51093978

IUPACN-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1
InChIInChI=1S/C17H22N2O4/c20-14-8-16-15(22-10-23-16)7-12(14)9-19-5-3-11(4-6-19)17(21)18-13-1-2-13/h7-8,11,13,20H,1-6,9-10H2,(H,18,21)
InChIKeyFAJXOTDQNZEZBG-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.61
Rot. Bonds4

About N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide

N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 51093978) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID51093978
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1
InChIInChI=1S/C17H22N2O4/c20-14-8-16-15(22-10-23-16)7-12(14)9-19-5-3-11(4-6-19)17(21)18-13-1-2-13/h7-8,11,13,20H,1-6,9-10H2,(H,18,21)
InChIKeyFAJXOTDQNZEZBG-UHFFFAOYSA-N
XLogP1.61
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide (CID 51093978) is N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1.
What is the InChIKey of N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FAJXOTDQNZEZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-14-8-16-15(22-10-23-16)7-12(14)9-19-5-3-11(4-6-19)17(21)18-13-1-2-13/h7-8,11,13,20H,1-6,9-10H2,(H,18,21).
What are the key properties of N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 51093978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).