N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

C24H30N2O3 — CID 86945147

IUPACN-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCCCO2)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C24H30N2O3/c27-24(12-10-19-9-11-22-23(16-19)29-15-5-14-28-22)25-21-8-4-13-26(18-21)17-20-6-2-1-3-7-20/h1-3,6-7,9,11,16,21H,4-5,8,10,12-15,17-18H2,(H,25,27)
InChIKeyHPLKAALCHNCFTJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.56
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide (PubChem CID 86945147) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
PubChem CID86945147
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCCCO2)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C24H30N2O3/c27-24(12-10-19-9-11-22-23(16-19)29-15-5-14-28-22)25-21-8-4-13-26(18-21)17-20-6-2-1-3-7-20/h1-3,6-7,9,11,16,21H,4-5,8,10,12-15,17-18H2,(H,25,27)
InChIKeyHPLKAALCHNCFTJ-UHFFFAOYSA-N
XLogP3.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 42958724
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CID 86944075
N-(1-benzylpyrrolidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 55378305
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944672
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CID 60756097
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N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944281
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CID 86944671
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxylic acid
CID 65054433
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826529
3-(11-benzyl-9-oxo-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)-N-cyclopentylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide (CID 86945147) is N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide is O=C(CCc1ccc2c(c1)OCCCO2)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide?
The InChIKey is HPLKAALCHNCFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-24(12-10-19-9-11-22-23(16-19)29-15-5-14-28-22)25-21-8-4-13-26(18-21)17-20-6-2-1-3-7-20/h1-3,6-7,9,11,16,21H,4-5,8,10,12-15,17-18H2,(H,25,27).
What are the key properties of N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide?
N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide is sourced from PubChem (CID 86945147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).