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

C23H24FN3O2S — CID 10365091

IUPACN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12
InChIInChI=1S/C23H24FN3O2S/c1-26(23(29)21-19-4-2-3-5-20(19)30-25-21)14-15-27-12-10-17(11-13-27)22(28)16-6-8-18(24)9-7-16/h2-9,17H,10-15H2,1H3
InChIKeyUCKJTPKYDOVULT-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.10
Rot. Bonds6

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

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 10365091) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID10365091
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12
InChIInChI=1S/C23H24FN3O2S/c1-26(23(29)21-19-4-2-3-5-20(19)30-25-21)14-15-27-12-10-17(11-13-27)22(28)16-6-8-18(24)9-7-16/h2-9,17H,10-15H2,1H3
InChIKeyUCKJTPKYDOVULT-UHFFFAOYSA-N
XLogP4.10
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
CID 10003321
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
(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
N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63239690
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741
4-[(dimethylamino)methyl]-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)benzamide;oxalic acid
CID 19690033
4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide
CID 19690032
3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-benzothiazol-2-one
CID 21424822
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide (CID 10365091) is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide is CN(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12.
What is the InChIKey of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is UCKJTPKYDOVULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-26(23(29)21-19-4-2-3-5-20(19)30-25-21)14-15-27-12-10-17(11-13-27)22(28)16-6-8-18(24)9-7-16/h2-9,17H,10-15H2,1H3.
What are the key properties of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 10365091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).