N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide

C17H23ClN2O3 — CID 119697756

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1cc2c(cc1Cl)OCCO2)C1CCNCC1
InChIInChI=1S/C17H23ClN2O3/c1-11(12-2-4-19-5-3-12)8-17(21)20-14-10-16-15(9-13(14)18)22-6-7-23-16/h9-12,19H,2-8H2,1H3,(H,20,21)
InChIKeyXTEBHHHTIICIOA-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.08
Rot. Bonds4

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide (PubChem CID 119697756) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide
PubChem CID119697756
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1cc2c(cc1Cl)OCCO2)C1CCNCC1
InChIInChI=1S/C17H23ClN2O3/c1-11(12-2-4-19-5-3-12)8-17(21)20-14-10-16-15(9-13(14)18)22-6-7-23-16/h9-12,19H,2-8H2,1H3,(H,20,21)
InChIKeyXTEBHHHTIICIOA-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-piperidin-4-ylbutanamide
CID 119722257
N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide
CID 61029942
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide
CID 119668964
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
CID 119887755

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide (CID 119697756) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1cc2c(cc1Cl)OCCO2)C1CCNCC1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide?
The InChIKey is XTEBHHHTIICIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11(12-2-4-19-5-3-12)8-17(21)20-14-10-16-15(9-13(14)18)22-6-7-23-16/h9-12,19H,2-8H2,1H3,(H,20,21).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide has a molecular weight of 338.84 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119697756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).