N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide

C24H26FN3O2S — CID 10003321

IUPACN-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12
InChIInChI=1S/C24H26FN3O2S/c1-27(24(30)22-20-5-2-3-6-21(20)31-26-22)13-4-14-28-15-11-18(12-16-28)23(29)17-7-9-19(25)10-8-17/h2-3,5-10,18H,4,11-16H2,1H3
InChIKeyWSWFAZIJVIGXBX-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.49
Rot. Bonds7

About N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide

N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 10003321) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID10003321
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC NameN-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12
InChIInChI=1S/C24H26FN3O2S/c1-27(24(30)22-20-5-2-3-6-21(20)31-26-22)13-4-14-28-15-11-18(12-16-28)23(29)17-7-9-19(25)10-8-17/h2-3,5-10,18H,4,11-16H2,1H3
InChIKeyWSWFAZIJVIGXBX-UHFFFAOYSA-N
XLogP4.49
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
CID 10365091
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
CID 11742358
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride
CID 19752281
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-benzothiazol-2-one
CID 21424822
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride
CID 22150162
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
CID 13232485
[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 54135393
[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 15290380

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide (CID 10003321) is N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide is CN(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12.
What is the InChIKey of N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is WSWFAZIJVIGXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-27(24(30)22-20-5-2-3-6-21(20)31-26-22)13-4-14-28-15-11-18(12-16-28)23(29)17-7-9-19(25)10-8-17/h2-3,5-10,18H,4,11-16H2,1H3.
What are the key properties of N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 10003321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).