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

C26H32N2O5 — CID 55982395

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H32N2O5/c1-2-22(19-10-11-23-24(17-19)33-16-15-32-23)27-26(30)20-7-6-13-28(18-20)25(29)12-14-31-21-8-4-3-5-9-21/h3-5,8-11,17,20,22H,2,6-7,12-16,18H2,1H3,(H,27,30)
InChIKeyRCAMPNGGFBLEOX-UHFFFAOYSA-N
MW452.55 g/mol
LogP3.73
Rot. Bonds8

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55982395) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55982395
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H32N2O5/c1-2-22(19-10-11-23-24(17-19)33-16-15-32-23)27-26(30)20-7-6-13-28(18-20)25(29)12-14-31-21-8-4-3-5-9-21/h3-5,8-11,17,20,22H,2,6-7,12-16,18H2,1H3,(H,27,30)
InChIKeyRCAMPNGGFBLEOX-UHFFFAOYSA-N
XLogP3.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 55923131
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 60562229
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
(3S)-3-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine-1,3-dicarboxamide
CID 39495072
(3R)-3-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine-1,3-dicarboxamide
CID 39495070
N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553205
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperidine-3-carboxamide;hydrochloride
CID 119299785

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55982395) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is CCC(NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is RCAMPNGGFBLEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-2-22(19-10-11-23-24(17-19)33-16-15-32-23)27-26(30)20-7-6-13-28(18-20)25(29)12-14-31-21-8-4-3-5-9-21/h3-5,8-11,17,20,22H,2,6-7,12-16,18H2,1H3,(H,27,30).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55982395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).