N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide

C23H25Cl2N3O3S — CID 60533690

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C23H25Cl2N3O3S/c1-15(2)28(14-16-7-8-19(24)20(25)13-16)23(29)17-9-11-27(12-10-17)22-18-5-3-4-6-21(18)32(30,31)26-22/h3-8,13,15,17H,9-12,14H2,1-2H3
InChIKeyHNGKIZOFHIWODA-UHFFFAOYSA-N
MW494.44 g/mol
LogP4.59
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide

N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 60533690) has the molecular formula C23H25Cl2N3O3S and a molecular weight of 494.44 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID60533690
Molecular FormulaC23H25Cl2N3O3S
Molecular Weight494.44 g/mol
Exact Mass493.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C23H25Cl2N3O3S/c1-15(2)28(14-16-7-8-19(24)20(25)13-16)23(29)17-9-11-27(12-10-17)22-18-5-3-4-6-21(18)32(30,31)26-22/h3-8,13,15,17H,9-12,14H2,1-2H3
InChIKeyHNGKIZOFHIWODA-UHFFFAOYSA-N
XLogP4.59
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26558342
tert-butyl 4-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 71632852
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 31151535
N-[(2-chlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 9165223
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 86976049
N-[(2,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 4806568
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 27708214
N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119298606
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 47005349
1-butanoyl-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 55990169
(4-benzyl-1,4-diazepan-1-yl)-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]methanone
CID 31946304
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide
CID 26011709

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide (CID 60533690) is N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is HNGKIZOFHIWODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3S/c1-15(2)28(14-16-7-8-19(24)20(25)13-16)23(29)17-9-11-27(12-10-17)22-18-5-3-4-6-21(18)32(30,31)26-22/h3-8,13,15,17H,9-12,14H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 494.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 60533690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).