1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide

C24H30N2O3 — CID 129168549

IUPAC1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(Cc2ccc(CC3COc4ccccc4O3)cc2)CC1
InChIInChI=1S/C24H30N2O3/c1-25(2)24(27)20-11-13-26(14-12-20)16-19-9-7-18(8-10-19)15-21-17-28-22-5-3-4-6-23(22)29-21/h3-10,20-21H,11-17H2,1-2H3
InChIKeyQVEYAKCSGKGFBP-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.37
Rot. Bonds5

About 1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide

1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 129168549) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID129168549
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(Cc2ccc(CC3COc4ccccc4O3)cc2)CC1
InChIInChI=1S/C24H30N2O3/c1-25(2)24(27)20-11-13-26(14-12-20)16-19-9-7-18(8-10-19)15-21-17-28-22-5-3-4-6-23(22)29-21/h3-10,20-21H,11-17H2,1-2H3
InChIKeyQVEYAKCSGKGFBP-UHFFFAOYSA-N
XLogP3.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 69105973
1-[[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl]methyl]piperidine-4-carboxylic acid
CID 66547107
1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
CID 133250707
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 40819163
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine;oxalic acid
CID 11189142
1-(4-benzylpiperazin-1-yl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-1-one
CID 7647518
1-(4-benzylpiperazin-1-yl)-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-1-one
CID 7647522
4-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N,N-dimethylbenzamide
CID 124758347
(4-chlorophenyl)-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methanone
CID 92967979
N'-amino-1-[[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl]methyl]piperidine-4-carboximidamide
CID 154038971
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 31984715

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide (CID 129168549) is 1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(Cc2ccc(CC3COc4ccccc4O3)cc2)CC1.
What is the InChIKey of 1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is QVEYAKCSGKGFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-25(2)24(27)20-11-13-26(14-12-20)16-19-9-7-18(8-10-19)15-21-17-28-22-5-3-4-6-23(22)29-21/h3-10,20-21H,11-17H2,1-2H3.
What are the key properties of 1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 129168549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).