2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide

C17H23ClN2O3 — CID 124753795

IUPAC2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide
SMILESCCN1CCC[C@H](NC(=O)Cc2cc3c(cc2Cl)OCCO3)C1
InChIInChI=1S/C17H23ClN2O3/c1-2-20-5-3-4-13(11-20)19-17(21)9-12-8-15-16(10-14(12)18)23-7-6-22-15/h8,10,13H,2-7,9,11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyMQSYPEVUUINZHG-ZDUSSCGKSA-N
MW338.84 g/mol
LogP2.25
Rot. Bonds4

About 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide (PubChem CID 124753795) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide
PubChem CID124753795
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide
SMILESCCN1CCC[C@H](NC(=O)Cc2cc3c(cc2Cl)OCCO3)C1
InChIInChI=1S/C17H23ClN2O3/c1-2-20-5-3-4-13(11-20)19-17(21)9-12-8-15-16(10-14(12)18)23-7-6-22-15/h8,10,13H,2-7,9,11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyMQSYPEVUUINZHG-ZDUSSCGKSA-N
XLogP2.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide with MolForge

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Related Compounds

N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 56748113
3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
CID 47349344
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169201
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425
2-amino-6-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 55244136
N-[(3R)-1-[(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-3-yl]-2-methylpropanamide
CID 97259775
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 118773864

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide (CID 124753795) is 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide is CCN1CCC[C@H](NC(=O)Cc2cc3c(cc2Cl)OCCO3)C1.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide?
The InChIKey is MQSYPEVUUINZHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-2-20-5-3-4-13(11-20)19-17(21)9-12-8-15-16(10-14(12)18)23-7-6-22-15/h8,10,13H,2-7,9,11H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide?
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide has a molecular weight of 338.84 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide is sourced from PubChem (CID 124753795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).