1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one

C13H19N5O2S — CID 43426130

IUPAC1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C13H19N5O2S/c19-11-5-7-17(8-6-11)12(20)9-21-13-14-15-16-18(13)10-3-1-2-4-10/h10H,1-9H2
InChIKeyMRDYSHYMVZTERB-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.07
Rot. Bonds4

About 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one

1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one (PubChem CID 43426130) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one
PubChem CID43426130
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C13H19N5O2S/c19-11-5-7-17(8-6-11)12(20)9-21-13-14-15-16-18(13)10-3-1-2-4-10/h10H,1-9H2
InChIKeyMRDYSHYMVZTERB-UHFFFAOYSA-N
XLogP1.07
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976
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-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
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
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 27094625
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
CID 78841306
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone
CID 134003190
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one?
The IUPAC name of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one (CID 43426130) is 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one is O=C1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one?
The InChIKey is MRDYSHYMVZTERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c19-11-5-7-17(8-6-11)12(20)9-21-13-14-15-16-18(13)10-3-1-2-4-10/h10H,1-9H2.
What are the key properties of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one?
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one has a molecular weight of 309.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one is sourced from PubChem (CID 43426130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).