N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide

C22H26N2O4 — CID 17414500

IUPACN-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c25-22(23-18-7-8-20-21(15-18)28-16-27-20)17-9-12-24(13-10-17)11-4-14-26-19-5-2-1-3-6-19/h1-3,5-8,15,17H,4,9-14,16H2,(H,23,25)
InChIKeyYPCODAXEZOKMEK-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.53
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide (PubChem CID 17414500) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
PubChem CID17414500
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c25-22(23-18-7-8-20-21(15-18)28-16-27-20)17-9-12-24(13-10-17)11-4-14-26-19-5-2-1-3-6-19/h1-3,5-8,15,17H,4,9-14,16H2,(H,23,25)
InChIKeyYPCODAXEZOKMEK-UHFFFAOYSA-N
XLogP3.53
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995686
N-(1,3-benzodioxol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921459
N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 167806403
N-(1,3-benzodioxol-5-yl)-2-(2-phenoxyethylsulfanyl)acetamide
CID 4794988
N-(1,3-benzodioxol-5-yl)-1-[2-(2-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 17466076
3-[4-(2-chlorophenyl)piperazin-1-yl]propyl N-(1,3-benzodioxol-5-yl)carbamate
CID 19794366
N-(1,3-benzodioxol-5-yl)-1-[2-(2,6-dichlorophenoxy)acetyl]piperidine-4-carboxamide
CID 17474650
N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidine-4-carboxamide
CID 40927516
N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidine-4-carboxamide
CID 17478762
N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 8995848
N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide
CID 8995705

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide (CID 17414500) is N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide?
The InChIKey is YPCODAXEZOKMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-22(23-18-7-8-20-21(15-18)28-16-27-20)17-9-12-24(13-10-17)11-4-14-26-19-5-2-1-3-6-19/h1-3,5-8,15,17H,4,9-14,16H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 17414500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).