N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide

C17H24N2O3 — CID 847339

IUPACN-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide
SMILESC[C@H](NC(=O)CN1CCCCC1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C17H24N2O3/c1-13(18-17(20)11-19-9-5-2-6-10-19)16-12-21-14-7-3-4-8-15(14)22-16/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3,(H,18,20)/t13-,16+/m0/s1
InChIKeyQOCODILLODRPBR-XJKSGUPXSA-N
MW304.39 g/mol
LogP1.82
Rot. Bonds4

About N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide

N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide (PubChem CID 847339) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide
PubChem CID847339
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide
SMILESC[C@H](NC(=O)CN1CCCCC1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C17H24N2O3/c1-13(18-17(20)11-19-9-5-2-6-10-19)16-12-21-14-7-3-4-8-15(14)22-16/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3,(H,18,20)/t13-,16+/m0/s1
InChIKeyQOCODILLODRPBR-XJKSGUPXSA-N
XLogP1.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]acetamide
CID 3135715
N-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]decanediamide
CID 7564254
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide
CID 749508
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-phenoxypropanamide
CID 746117
(2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide
CID 163068888
N-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 1114583
N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide
CID 2951203
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]furan-2-carboxamide
CID 878326
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 43012139
[(2S)-1-piperidin-1-ylpropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 1421128
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(2-methylpropoxy)benzamide
CID 1120179

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide (CID 847339) is N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide is C[C@H](NC(=O)CN1CCCCC1)[C@H]1COc2ccccc2O1.
What is the InChIKey of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide?
The InChIKey is QOCODILLODRPBR-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(18-17(20)11-19-9-5-2-6-10-19)16-12-21-14-7-3-4-8-15(14)22-16/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3,(H,18,20)/t13-,16+/m0/s1.
What are the key properties of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide?
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 847339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).