2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide

C25H29N3O4 — CID 78870807

IUPAC2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC1COc2ccccc2O1)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C25H29N3O4/c1-17(25(29)27(2)15-19-16-30-22-11-5-6-12-23(22)31-19)28-13-7-8-18(14-28)24-26-20-9-3-4-10-21(20)32-24/h3-6,9-12,17-19H,7-8,13-16H2,1-2H3
InChIKeyIICKQUIAGNKVOG-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.69
Rot. Bonds5

About 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide (PubChem CID 78870807) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide
PubChem CID78870807
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC1COc2ccccc2O1)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C25H29N3O4/c1-17(25(29)27(2)15-19-16-30-22-11-5-6-12-23(22)31-19)28-13-7-8-18(14-28)24-26-20-9-3-4-10-21(20)32-24/h3-6,9-12,17-19H,7-8,13-16H2,1-2H3
InChIKeyIICKQUIAGNKVOG-UHFFFAOYSA-N
XLogP3.69
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46402844
(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95592437
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 46444293
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 31987220
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chlorophenyl)propanamide
CID 46402796
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 46402845
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide;hydrochloride
CID 120761894
4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide
CID 31986928
(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide
CID 94110566
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46402789
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethylbutanamide
CID 61259944
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanamide
CID 61258863

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide (CID 78870807) is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide is CC(C(=O)N(C)CC1COc2ccccc2O1)N1CCCC(c2nc3ccccc3o2)C1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide?
The InChIKey is IICKQUIAGNKVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-17(25(29)27(2)15-19-16-30-22-11-5-6-12-23(22)31-19)28-13-7-8-18(14-28)24-26-20-9-3-4-10-21(20)32-24/h3-6,9-12,17-19H,7-8,13-16H2,1-2H3.
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide?
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide has a molecular weight of 435.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 78870807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).