1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone

C20H29N7O2 — CID 42531125

IUPAC1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
SMILESCCOc1ccccc1N1CCN(C(=O)Cn2nnnc2CN2CCCC2)CC1
InChIInChI=1S/C20H29N7O2/c1-2-29-18-8-4-3-7-17(18)25-11-13-26(14-12-25)20(28)16-27-19(21-22-23-27)15-24-9-5-6-10-24/h3-4,7-8H,2,5-6,9-16H2,1H3
InChIKeyJLWFVVPBLXJONI-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.02
Rot. Bonds7

About 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone (PubChem CID 42531125) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
PubChem CID42531125
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
SMILESCCOc1ccccc1N1CCN(C(=O)Cn2nnnc2CN2CCCC2)CC1
InChIInChI=1S/C20H29N7O2/c1-2-29-18-8-4-3-7-17(18)25-11-13-26(14-12-25)20(28)16-27-19(21-22-23-27)15-24-9-5-6-10-24/h3-4,7-8H,2,5-6,9-16H2,1H3
InChIKeyJLWFVVPBLXJONI-UHFFFAOYSA-N
XLogP1.02
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone with MolForge

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Related Compounds

ethyl 4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazine-1-carboxylate
CID 42401938
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 74250244
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
ethyl (3S)-1-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperidine-3-carboxylate
CID 42516187
1-(azocan-1-yl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 26575522
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113077388
4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]butan-1-one
CID 9415491
1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
CID 51364891
2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 9415255
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 45236654

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone (CID 42531125) is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone is CCOc1ccccc1N1CCN(C(=O)Cn2nnnc2CN2CCCC2)CC1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone?
The InChIKey is JLWFVVPBLXJONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-2-29-18-8-4-3-7-17(18)25-11-13-26(14-12-25)20(28)16-27-19(21-22-23-27)15-24-9-5-6-10-24/h3-4,7-8H,2,5-6,9-16H2,1H3.
What are the key properties of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone?
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone has a molecular weight of 399.50 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 42531125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).