N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide

C22H25N3O2S — CID 100533092

IUPACN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)c1
InChIInChI=1S/C22H25N3O2S/c1-15-4-3-5-16(12-15)14-25-10-8-17(9-11-25)21(26)23-18-6-7-19-20(13-18)28-22(27)24(19)2/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyYVYDIEUBDASYQV-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.76
Rot. Bonds4

About N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide

N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 100533092) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID100533092
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)c1
InChIInChI=1S/C22H25N3O2S/c1-15-4-3-5-16(12-15)14-25-10-8-17(9-11-25)21(26)23-18-6-7-19-20(13-18)28-22(27)24(19)2/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyYVYDIEUBDASYQV-UHFFFAOYSA-N
XLogP3.76
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100533215
1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100533151
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 100545043
1-[(3-bromophenyl)methylsulfonyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100532174
methyl 4-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007013
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 100535339
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
4-(4-benzylpiperazin-1-yl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 162648499
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
1-[(2-chlorophenyl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100557518
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide (CID 100533092) is N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide is Cc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)c1.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YVYDIEUBDASYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15-4-3-5-16(12-15)14-25-10-8-17(9-11-25)21(26)23-18-6-7-19-20(13-18)28-22(27)24(19)2/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.76, 4 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)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 100533092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).