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

C22H22FN3O2S — CID 11742358

IUPACN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
SMILESO=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1nsc2ccccc12
InChIInChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)21(27)16-9-12-26(13-10-16)14-11-24-22(28)20-18-3-1-2-4-19(18)29-25-20/h1-8,16H,9-14H2,(H,24,28)
InChIKeyDQVSZMGSVSMZTD-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.76
Rot. Bonds6

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

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide (PubChem CID 11742358) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
PubChem CID11742358
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
SMILESO=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1nsc2ccccc12
InChIInChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)21(27)16-9-12-26(13-10-16)14-11-24-22(28)20-18-3-1-2-4-19(18)29-25-20/h1-8,16H,9-14H2,(H,24,28)
InChIKeyDQVSZMGSVSMZTD-UHFFFAOYSA-N
XLogP3.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
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-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
CID 10003321
4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 139726411
2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide
CID 88655694
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037
(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-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methoxy-5-methylsulfanylbenzamide;hydrochloride
CID 70425777
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide (CID 11742358) is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide is O=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1nsc2ccccc12.
What is the InChIKey of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide?
The InChIKey is DQVSZMGSVSMZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)21(27)16-9-12-26(13-10-16)14-11-24-22(28)20-18-3-1-2-4-19(18)29-25-20/h1-8,16H,9-14H2,(H,24,28).
What are the key properties of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide?
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 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]-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 11742358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).