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

C23H24FN3O2S — CID 19752282

IUPACN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCC1CCN(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)13-10-16-11-14-27(15-12-16)22(28)17-6-8-18(24)9-7-17/h2-9,16H,10-15H2,1H3
InChIKeyQJTKEBABTCYNFQ-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.45
Rot. Bonds5

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

N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 19752282) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID19752282
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCC1CCN(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)13-10-16-11-14-27(15-12-16)22(28)17-6-8-18(24)9-7-17/h2-9,16H,10-15H2,1H3
InChIKeyQJTKEBABTCYNFQ-UHFFFAOYSA-N
XLogP4.45
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide (CID 19752282) is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide is CN(CCC1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12.
What is the InChIKey of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is QJTKEBABTCYNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-26(23(29)21-19-4-2-3-5-20(19)30-25-21)13-10-16-11-14-27(15-12-16)22(28)17-6-8-18(24)9-7-17/h2-9,16H,10-15H2,1H3.
What are the key properties of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 19752282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).