2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide

C19H25N3O3S — CID 3223483

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)NCC1COCCO1
InChIInChI=1S/C19H25N3O3S/c23-18(20-11-15-13-24-9-10-25-15)12-22-7-5-14(6-8-22)19-21-16-3-1-2-4-17(16)26-19/h1-4,14-15H,5-13H2,(H,20,23)
InChIKeyNYVHKTJBLATSKA-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.01
Rot. Bonds5

About 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide (PubChem CID 3223483) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide
PubChem CID3223483
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)NCC1COCCO1
InChIInChI=1S/C19H25N3O3S/c23-18(20-11-15-13-24-9-10-25-15)12-22-7-5-14(6-8-22)19-21-16-3-1-2-4-17(16)26-19/h1-4,14-15H,5-13H2,(H,20,23)
InChIKeyNYVHKTJBLATSKA-UHFFFAOYSA-N
XLogP2.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-butylacetamide
CID 31480507
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9336826
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 124787727
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9337536
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9337460
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1429633
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 3670245
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 1437008
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429727
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9337529
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40625039
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 41203572

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide (CID 3223483) is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide is O=C(CN1CCC(c2nc3ccccc3s2)CC1)NCC1COCCO1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide?
The InChIKey is NYVHKTJBLATSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c23-18(20-11-15-13-24-9-10-25-15)12-22-7-5-14(6-8-22)19-21-16-3-1-2-4-17(16)26-19/h1-4,14-15H,5-13H2,(H,20,23).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide?
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide is sourced from PubChem (CID 3223483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).