N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide

C18H23FN4OS — CID 91832556

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide
SMILESCCc1nnc(CNC(=O)C(c2ccc(F)cc2)N2CCCCC2)s1
InChIInChI=1S/C18H23FN4OS/c1-2-15-21-22-16(25-15)12-20-18(24)17(23-10-4-3-5-11-23)13-6-8-14(19)9-7-13/h6-9,17H,2-5,10-12H2,1H3,(H,20,24)
InChIKeySUBRJWZVQHLJQT-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.08
Rot. Bonds6

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide (PubChem CID 91832556) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide
PubChem CID91832556
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide
SMILESCCc1nnc(CNC(=O)C(c2ccc(F)cc2)N2CCCCC2)s1
InChIInChI=1S/C18H23FN4OS/c1-2-15-21-22-16(25-15)12-20-18(24)17(23-10-4-3-5-11-23)13-6-8-14(19)9-7-13/h6-9,17H,2-5,10-12H2,1H3,(H,20,24)
InChIKeySUBRJWZVQHLJQT-UHFFFAOYSA-N
XLogP3.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide
CID 131937524
2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 131924426
(2R)-2-(4-fluorophenyl)-2-piperidin-1-yl-N-(2-pyrazin-2-ylethyl)acetamide
CID 125166147
(2S)-2-(4-fluorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-piperidin-1-ylacetamide
CID 124728340
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 118791672
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide
CID 131918642
3-(4-fluorophenyl)-3-piperidin-1-ylpropanamide
CID 70303350
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 56509917
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide (CID 91832556) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide is CCc1nnc(CNC(=O)C(c2ccc(F)cc2)N2CCCCC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is SUBRJWZVQHLJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-2-15-21-22-16(25-15)12-20-18(24)17(23-10-4-3-5-11-23)13-6-8-14(19)9-7-13/h6-9,17H,2-5,10-12H2,1H3,(H,20,24).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 362.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 91832556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).