N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide

C23H29N3O4S — CID 25294137

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)c1nc(C(=O)N2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)cs1
InChIInChI=1S/C23H29N3O4S/c1-15(2)22-25-18(14-31-22)23(28)26-9-7-16(8-10-26)3-6-21(27)24-17-4-5-19-20(13-17)30-12-11-29-19/h4-5,13-16H,3,6-12H2,1-2H3,(H,24,27)
InChIKeyRTVCUAQVDIBULT-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.31
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 25294137) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID25294137
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)c1nc(C(=O)N2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)cs1
InChIInChI=1S/C23H29N3O4S/c1-15(2)22-25-18(14-31-22)23(28)26-9-7-16(8-10-26)3-6-21(27)24-17-4-5-19-20(13-17)30-12-11-29-19/h4-5,13-16H,3,6-12H2,1-2H3,(H,24,27)
InChIKeyRTVCUAQVDIBULT-UHFFFAOYSA-N
XLogP4.31
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide (CID 25294137) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide is CC(C)c1nc(C(=O)N2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)cs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is RTVCUAQVDIBULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-15(2)22-25-18(14-31-22)23(28)26-9-7-16(8-10-26)3-6-21(27)24-17-4-5-19-20(13-17)30-12-11-29-19/h4-5,13-16H,3,6-12H2,1-2H3,(H,24,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 443.57 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25294137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).