N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide

C29H32N2O3 — CID 46054625

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C29H32N2O3/c1-21-3-8-24(9-4-21)29(32)31(25-10-5-22(2)6-11-25)26-13-15-30(16-14-26)20-23-7-12-27-28(19-23)34-18-17-33-27/h3-12,19,26H,13-18,20H2,1-2H3
InChIKeyUFVGIQPOEMMDDL-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.39
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide (PubChem CID 46054625) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide
PubChem CID46054625
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C29H32N2O3/c1-21-3-8-24(9-4-21)29(32)31(25-10-5-22(2)6-11-25)26-13-15-30(16-14-26)20-23-7-12-27-28(19-23)34-18-17-33-27/h3-12,19,26H,13-18,20H2,1-2H3
InChIKeyUFVGIQPOEMMDDL-UHFFFAOYSA-N
XLogP5.39
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide with MolForge

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Related Compounds

N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
CID 46054292
[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 31361933
4-methyl-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 42853358
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
4-fluoro-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46048142
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 46055099
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetic acid
CID 79609676
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 42853344
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 46054532
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methanone
CID 25469740
(2S)-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-hydroxyacetamide
CID 129489011

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide (CID 46054625) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide is Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide?
The InChIKey is UFVGIQPOEMMDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-21-3-8-24(9-4-21)29(32)31(25-10-5-22(2)6-11-25)26-13-15-30(16-14-26)20-23-7-12-27-28(19-23)34-18-17-33-27/h3-12,19,26H,13-18,20H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide has a molecular weight of 456.59 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 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-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 46054625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).