2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone

C17H21N5O2S — CID 78841306

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H21N5O2S/c23-15-5-1-12(2-6-15)13-7-9-21(10-8-13)16(24)11-25-17-18-19-20-22(17)14-3-4-14/h1-2,5-6,13-14,23H,3-4,7-11H2
InChIKeyKCWFUDOJGVUICD-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.21
Rot. Bonds5

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone (PubChem CID 78841306) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
PubChem CID78841306
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H21N5O2S/c23-15-5-1-12(2-6-15)13-7-9-21(10-8-13)16(24)11-25-17-18-19-20-22(17)14-3-4-14/h1-2,5-6,13-14,23H,3-4,7-11H2
InChIKeyKCWFUDOJGVUICD-UHFFFAOYSA-N
XLogP2.21
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one
CID 43426130
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 7474218
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 9204628
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone
CID 134003190
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 55527349
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]ethanone
CID 31502049
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 649176
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 7474216
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 34908513
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 9204575
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41461433

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone (CID 78841306) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone is O=C(CSc1nnnn1C1CC1)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone?
The InChIKey is KCWFUDOJGVUICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-15-5-1-12(2-6-15)13-7-9-21(10-8-13)16(24)11-25-17-18-19-20-22(17)14-3-4-14/h1-2,5-6,13-14,23H,3-4,7-11H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone has a molecular weight of 359.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 78841306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).