N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C25H29FN2O4 — CID 24535126

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H29FN2O4/c1-16(2)23(18-7-10-21-22(14-18)32-13-12-31-21)27-24(29)19-4-3-11-28(15-19)25(30)17-5-8-20(26)9-6-17/h5-10,14,16,19,23H,3-4,11-13,15H2,1-2H3,(H,27,29)
InChIKeyAUPCPHCGXPRFIJ-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.96
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 24535126) has the molecular formula C25H29FN2O4 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID24535126
Molecular FormulaC25H29FN2O4
Molecular Weight440.52 g/mol
Exact Mass440.21
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H29FN2O4/c1-16(2)23(18-7-10-21-22(14-18)32-13-12-31-21)27-24(29)19-4-3-11-28(15-19)25(30)17-5-8-20(26)9-6-17/h5-10,14,16,19,23H,3-4,11-13,15H2,1-2H3,(H,27,29)
InChIKeyAUPCPHCGXPRFIJ-UHFFFAOYSA-N
XLogP3.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18143619
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46449131
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103430
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119691916
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3R)-3-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine-1,3-dicarboxamide
CID 39495070
(3S)-3-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine-1,3-dicarboxamide
CID 39495072
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18267750
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119617969
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103394
N-[1-(3-bromophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55577882

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 24535126) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is CC(C)C(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is AUPCPHCGXPRFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O4/c1-16(2)23(18-7-10-21-22(14-18)32-13-12-31-21)27-24(29)19-4-3-11-28(15-19)25(30)17-5-8-20(26)9-6-17/h5-10,14,16,19,23H,3-4,11-13,15H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 24535126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).