1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone

C18H23N5OS — CID 3228995

IUPAC1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1cccc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C18H23N5OS/c24-17(22-11-4-1-5-12-22)13-25-18-19-20-21-23(18)16-10-6-8-14-7-2-3-9-15(14)16/h6,8,10H,1-5,7,9,11-13H2
InChIKeyQKOIGHYKKXQVEH-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.65
Rot. Bonds4

About 1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone

1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone (PubChem CID 3228995) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone
PubChem CID3228995
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1cccc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C18H23N5OS/c24-17(22-11-4-1-5-12-22)13-25-18-19-20-21-23(18)16-10-6-8-14-7-2-3-9-15(14)16/h6,8,10H,1-5,7,9,11-13H2
InChIKeyQKOIGHYKKXQVEH-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 652185
1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 653790
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 1017550
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 1164138
2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl 4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl sulfide
CID 1211197
1-{[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}-1,2,3,4-tetrahydroquinoline
CID 1250302
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2084670
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2485684
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2544083

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone (CID 3228995) is 1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone is O=C(CSc1nnnn1-c1cccc2c1CCCC2)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is QKOIGHYKKXQVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c24-17(22-11-4-1-5-12-22)13-25-18-19-20-21-23(18)16-10-6-8-14-7-2-3-9-15(14)16/h6,8,10H,1-5,7,9,11-13H2.
What are the key properties of 1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 357.48 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 3228995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).