N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide

C22H25N3OS — CID 119687328

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1-c1nc2ccccc2s1)C1CCCNC1
InChIInChI=1S/C22H25N3OS/c1-15(16-7-6-12-23-14-16)13-21(26)24-18-9-3-2-8-17(18)22-25-19-10-4-5-11-20(19)27-22/h2-5,8-11,15-16,23H,6-7,12-14H2,1H3,(H,24,26)
InChIKeyZOMWWSYNWFPJOD-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.93
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119687328) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119687328
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1-c1nc2ccccc2s1)C1CCCNC1
InChIInChI=1S/C22H25N3OS/c1-15(16-7-6-12-23-14-16)13-21(26)24-18-9-3-2-8-17(18)22-25-19-10-4-5-11-20(19)27-22/h2-5,8-11,15-16,23H,6-7,12-14H2,1H3,(H,24,26)
InChIKeyZOMWWSYNWFPJOD-UHFFFAOYSA-N
XLogP4.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-piperidin-3-ylbutanamide
CID 119778650
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119674536
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119270096
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679567

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide (CID 119687328) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccccc1-c1nc2ccccc2s1)C1CCCNC1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is ZOMWWSYNWFPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-15(16-7-6-12-23-14-16)13-21(26)24-18-9-3-2-8-17(18)22-25-19-10-4-5-11-20(19)27-22/h2-5,8-11,15-16,23H,6-7,12-14H2,1H3,(H,24,26).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 379.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119687328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).