2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone

C19H25N3OS — CID 1453030

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCCCC1
InChIInChI=1S/C19H25N3OS/c23-18(22-10-4-1-5-11-22)14-21-12-8-15(9-13-21)19-20-16-6-2-3-7-17(16)24-19/h2-3,6-7,15H,1,4-5,8-14H2
InChIKeyTUWPCSCAABEMCX-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.49
Rot. Bonds3

About 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 1453030) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID1453030
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCCCC1
InChIInChI=1S/C19H25N3OS/c23-18(22-10-4-1-5-11-22)14-21-12-8-15(9-13-21)19-20-16-6-2-3-7-17(16)24-19/h2-3,6-7,15H,1,4-5,8-14H2
InChIKeyTUWPCSCAABEMCX-UHFFFAOYSA-N
XLogP3.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone (CID 1453030) is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is TUWPCSCAABEMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c23-18(22-10-4-1-5-11-22)14-21-12-8-15(9-13-21)19-20-16-6-2-3-7-17(16)24-19/h2-3,6-7,15H,1,4-5,8-14H2.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 343.50 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 1453030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).