N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide

C23H27N3O2S — CID 162656365

IUPACN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide
SMILESCn1c(=O)sc2cc(NC(=O)CCCN3CCC(c4ccccc4)CC3)ccc21
InChIInChI=1S/C23H27N3O2S/c1-25-20-10-9-19(16-21(20)29-23(25)28)24-22(27)8-5-13-26-14-11-18(12-15-26)17-6-3-2-4-7-17/h2-4,6-7,9-10,16,18H,5,8,11-15H2,1H3,(H,24,27)
InChIKeyQLXWHINWXLLZDU-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.20
Rot. Bonds6

About N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide

N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide (PubChem CID 162656365) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide
PubChem CID162656365
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide
SMILESCn1c(=O)sc2cc(NC(=O)CCCN3CCC(c4ccccc4)CC3)ccc21
InChIInChI=1S/C23H27N3O2S/c1-25-20-10-9-19(16-21(20)29-23(25)28)24-22(27)8-5-13-26-14-11-18(12-15-26)17-6-3-2-4-7-17/h2-4,6-7,9-10,16,18H,5,8,11-15H2,1H3,(H,24,27)
InChIKeyQLXWHINWXLLZDU-UHFFFAOYSA-N
XLogP4.20
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 162648499
methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate
CID 22577323
3-[4-(4-phenylpiperidin-1-yl)butyl]-1,3-benzothiazol-2-one
CID 67713059
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100531465
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide
CID 100527183
1-[(2-fluorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100533215
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 100533092
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100526244
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide
CID 100549830
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 100554675
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100526272
2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 22577330

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide (CID 162656365) is N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide is Cn1c(=O)sc2cc(NC(=O)CCCN3CCC(c4ccccc4)CC3)ccc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide?
The InChIKey is QLXWHINWXLLZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-25-20-10-9-19(16-21(20)29-23(25)28)24-22(27)8-5-13-26-14-11-18(12-15-26)17-6-3-2-4-7-17/h2-4,6-7,9-10,16,18H,5,8,11-15H2,1H3,(H,24,27).
What are the key properties of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide?
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide has a molecular weight of 409.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide is sourced from PubChem (CID 162656365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).