N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide

C20H21FN2O3 — CID 119319750

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(C1CCCNC1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3/c21-16-4-6-17(7-5-16)23(20(24)15-2-1-9-22-11-15)12-14-3-8-18-19(10-14)26-13-25-18/h3-8,10,15,22H,1-2,9,11-13H2
InChIKeyODJHERNMWLIABV-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.09
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide (PubChem CID 119319750) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide
PubChem CID119319750
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(C1CCCNC1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3/c21-16-4-6-17(7-5-16)23(20(24)15-2-1-9-22-11-15)12-14-3-8-18-19(10-14)26-13-25-18/h3-8,10,15,22H,1-2,9,11-13H2
InChIKeyODJHERNMWLIABV-UHFFFAOYSA-N
XLogP3.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide
CID 56781359
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-5-nitrofuran-2-carboxamide
CID 99804713
2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 81140928
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide
CID 119307672
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120591840

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide (CID 119319750) is N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide is O=C(C1CCCNC1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is ODJHERNMWLIABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-16-4-6-17(7-5-16)23(20(24)15-2-1-9-22-11-15)12-14-3-8-18-19(10-14)26-13-25-18/h3-8,10,15,22H,1-2,9,11-13H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 119319750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).