1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C19H23ClN6O2 — CID 78905225

IUPAC1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C19H23ClN6O2/c20-16-5-3-15(4-6-16)19(7-1-2-8-19)18(28)25-11-9-24(10-12-25)17(27)13-26-14-21-22-23-26/h3-6,14H,1-2,7-13H2
InChIKeyKOAKAWSJBKLWOL-UHFFFAOYSA-N
MW402.89 g/mol
LogP1.51
Rot. Bonds4

About 1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 78905225) has the molecular formula C19H23ClN6O2 and a molecular weight of 402.89 g/mol. Its IUPAC name is 1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID78905225
Molecular FormulaC19H23ClN6O2
Molecular Weight402.89 g/mol
Exact Mass402.16
IUPAC Name1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C19H23ClN6O2/c20-16-5-3-15(4-6-16)19(7-1-2-8-19)18(28)25-11-9-24(10-12-25)17(27)13-26-14-21-22-23-26/h3-6,14H,1-2,7-13H2
InChIKeyKOAKAWSJBKLWOL-UHFFFAOYSA-N
XLogP1.51
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905359
1-[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905244
4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119164517
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 132968742
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone
CID 55716635
3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905113
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 60558538
[1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341570
[1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone
CID 162626556

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 78905225) is 1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1.
What is the InChIKey of 1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is KOAKAWSJBKLWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O2/c20-16-5-3-15(4-6-16)19(7-1-2-8-19)18(28)25-11-9-24(10-12-25)17(27)13-26-14-21-22-23-26/h3-6,14H,1-2,7-13H2.
What are the key properties of 1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 402.89 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 78905225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).