1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

C18H18FN5OS — CID 16668512

IUPAC1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C18H18FN5OS/c19-14-5-3-13(4-6-14)18-20-22-24(21-18)15-7-9-23(10-8-15)17(25)12-16-2-1-11-26-16/h1-6,11,15H,7-10,12H2
InChIKeyYMEJIVCWQKDPJP-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.95
Rot. Bonds4

About 1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 16668512) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID16668512
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C18H18FN5OS/c19-14-5-3-13(4-6-14)18-20-22-24(21-18)15-7-9-23(10-8-15)17(25)12-16-2-1-11-26-16/h1-6,11,15H,7-10,12H2
InChIKeyYMEJIVCWQKDPJP-UHFFFAOYSA-N
XLogP2.95
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(5-thiophen-2-yl-tetrazol-2-yl)-propan-1-one
CID 646775
N-Cyclohexylcarbamoylmethyl-N-(2-fluoro-benzyl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 3190161
N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 1444698
(3R)-1-[(2-fluorophenyl)methyl]-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidine
CID 92436091
(3S)-1-[(2-fluorophenyl)methyl]-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidine
CID 92436092
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3179727
N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide
CID 3179839
N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 3190058
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 17506590
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 856761
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 856762
(2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[2-(2-methylphenyl)ethyl]amino]-2-thiophen-2-ylacetamide
CID 1143544

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 16668512) is 1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is YMEJIVCWQKDPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c19-14-5-3-13(4-6-14)18-20-22-24(21-18)15-7-9-23(10-8-15)17(25)12-16-2-1-11-26-16/h1-6,11,15H,7-10,12H2.
What are the key properties of 1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 371.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 16668512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).