N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide

C29H32N2O3 — CID 10344048

IUPACN-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(Cc2ccc3c(c2)OCCO3)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32N2O3/c32-28(30-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25)20-22-13-15-31(16-14-22)21-23-11-12-26-27(19-23)34-18-17-33-26/h1-12,19,22,29H,13-18,20-21H2,(H,30,32)
InChIKeyAIRWQMBPPCOVGG-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.97
Rot. Bonds7

About N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide

N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 10344048) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide
PubChem CID10344048
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC NameN-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(Cc2ccc3c(c2)OCCO3)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32N2O3/c32-28(30-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25)20-22-13-15-31(16-14-22)21-23-11-12-26-27(19-23)34-18-17-33-26/h1-12,19,22,29H,13-18,20-21H2,(H,30,32)
InChIKeyAIRWQMBPPCOVGG-UHFFFAOYSA-N
XLogP4.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetic acid
CID 79609676
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide
CID 42209722
2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide
CID 133230458
(2S)-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-hydroxyacetamide
CID 129489011
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
CID 51276777
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]acetic acid
CID 65059851
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium
CID 9357098
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988779

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide (CID 10344048) is N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide is O=C(CC1CCN(Cc2ccc3c(c2)OCCO3)CC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is AIRWQMBPPCOVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c32-28(30-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25)20-22-13-15-31(16-14-22)21-23-11-12-26-27(19-23)34-18-17-33-26/h1-12,19,22,29H,13-18,20-21H2,(H,30,32).
What are the key properties of N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide?
N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 456.59 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 10344048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).