1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one

C12H20N6O2 — CID 78875804

IUPAC1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C12H20N6O2/c1-2-3-4-11(19)16-5-7-17(8-6-16)12(20)9-18-10-13-14-15-18/h10H,2-9H2,1H3
InChIKeyGKSPHCQITWXSLB-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.47
Rot. Bonds5

About 1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one

1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one (PubChem CID 78875804) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
PubChem CID78875804
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C12H20N6O2/c1-2-3-4-11(19)16-5-7-17(8-6-16)12(20)9-18-10-13-14-15-18/h10H,2-9H2,1H3
InChIKeyGKSPHCQITWXSLB-UHFFFAOYSA-N
XLogP-0.47
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78904858
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905113
3-(2-bromophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905433
1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 133371195
1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78904571
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78904992
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 131960673
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
CID 119260834
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-[4-(4-bromo-2-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905435

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one (CID 78875804) is 1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1.
What is the InChIKey of 1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one?
The InChIKey is GKSPHCQITWXSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-2-3-4-11(19)16-5-7-17(8-6-16)12(20)9-18-10-13-14-15-18/h10H,2-9H2,1H3.
What are the key properties of 1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one?
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one has a molecular weight of 280.33 g/mol, XLogP of -0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 78875804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).