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

C23H25ClFN3O2S — CID 19752281

IUPACN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride
SMILESCN(CCC1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12.Cl
InChIInChI=1S/C23H24FN3O2S.ClH/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;1H
InChIKeyYWCDQVDFBPLNFR-UHFFFAOYSA-N
MW461.99 g/mol
LogP4.87
Rot. Bonds5

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

N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride (PubChem CID 19752281) has the molecular formula C23H25ClFN3O2S and a molecular weight of 461.99 g/mol. Its IUPAC name is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride
PubChem CID19752281
Molecular FormulaC23H25ClFN3O2S
Molecular Weight461.99 g/mol
Exact Mass461.13
IUPAC NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride
SMILESCN(CCC1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12.Cl
InChIInChI=1S/C23H24FN3O2S.ClH/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;1H
InChIKeyYWCDQVDFBPLNFR-UHFFFAOYSA-N
XLogP4.87
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.99
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
CID 11742358
4-fluoro-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 54945330
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 53103748
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792

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;hydrochloride?
The IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride (CID 19752281) is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride is CN(CCC1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12.Cl.
What is the InChIKey of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride?
The InChIKey is YWCDQVDFBPLNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S.ClH/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;1H.
What are the key properties of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride?
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride has a molecular weight of 461.99 g/mol, XLogP of 4.87, 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;hydrochloride is sourced from PubChem (CID 19752281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).