1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one

C14H23N7O2 — CID 56898230

IUPAC1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one
SMILESO=C(C1CNCCN1C(=O)CCCn1cnnn1)N1CCCC1
InChIInChI=1S/C14H23N7O2/c22-13(4-3-8-20-11-16-17-18-20)21-9-5-15-10-12(21)14(23)19-6-1-2-7-19/h11-12,15H,1-10H2
InChIKeyZRHKMWZSDQUGGZ-UHFFFAOYSA-N
MW321.39 g/mol
LogP-1.12
Rot. Bonds5

About 1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one

1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one (PubChem CID 56898230) has the molecular formula C14H23N7O2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one
PubChem CID56898230
Molecular FormulaC14H23N7O2
Molecular Weight321.39 g/mol
Exact Mass321.19
IUPAC Name1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one
SMILESO=C(C1CNCCN1C(=O)CCCn1cnnn1)N1CCCC1
InChIInChI=1S/C14H23N7O2/c22-13(4-3-8-20-11-16-17-18-20)21-9-5-15-10-12(21)14(23)19-6-1-2-7-19/h11-12,15H,1-10H2
InChIKeyZRHKMWZSDQUGGZ-UHFFFAOYSA-N
XLogP-1.12
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one?
The IUPAC name of 1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one (CID 56898230) is 1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one.
What is the SMILES notation for 1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one?
The canonical SMILES for 1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one is O=C(C1CNCCN1C(=O)CCCn1cnnn1)N1CCCC1.
What is the InChIKey of 1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one?
The InChIKey is ZRHKMWZSDQUGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O2/c22-13(4-3-8-20-11-16-17-18-20)21-9-5-15-10-12(21)14(23)19-6-1-2-7-19/h11-12,15H,1-10H2.
What are the key properties of 1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one?
1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one has a molecular weight of 321.39 g/mol, XLogP of -1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one is sourced from PubChem (CID 56898230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).