N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide

C15H16ClFN4OS — CID 34796702

IUPACN-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(Cc2nnsc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H16ClFN4OS/c16-14-13(19-20-23-14)9-21-7-5-12(6-8-21)18-15(22)10-1-3-11(17)4-2-10/h1-4,12H,5-9H2,(H,18,22)
InChIKeyAUILWNZTJOPVIP-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.72
Rot. Bonds4

About N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 34796702) has the molecular formula C15H16ClFN4OS and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID34796702
Molecular FormulaC15H16ClFN4OS
Molecular Weight354.84 g/mol
Exact Mass354.07
IUPAC NameN-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(Cc2nnsc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H16ClFN4OS/c16-14-13(19-20-23-14)9-21-7-5-12(6-8-21)18-15(22)10-1-3-11(17)4-2-10/h1-4,12H,5-9H2,(H,18,22)
InChIKeyAUILWNZTJOPVIP-UHFFFAOYSA-N
XLogP2.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide
CID 32512747
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 33103568
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55959686
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532
4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166339791
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide (CID 34796702) is N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide is O=C(NC1CCN(Cc2nnsc2Cl)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is AUILWNZTJOPVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4OS/c16-14-13(19-20-23-14)9-21-7-5-12(6-8-21)18-15(22)10-1-3-11(17)4-2-10/h1-4,12H,5-9H2,(H,18,22).
What are the key properties of N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 354.84 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 34796702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).