1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

C19H30N6O — CID 644666

IUPAC1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H30N6O/c1-2-6-18(19-20-21-22-25(19)15-17-9-5-14-26-17)24-12-10-23(11-13-24)16-7-3-4-8-16/h5,9,14,16,18H,2-4,6-8,10-13,15H2,1H3
InChIKeyHVCCLLURAGVUAK-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.72
Rot. Bonds7

About 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 644666) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID644666
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H30N6O/c1-2-6-18(19-20-21-22-25(19)15-17-9-5-14-26-17)24-12-10-23(11-13-24)16-7-3-4-8-16/h5,9,14,16,18H,2-4,6-8,10-13,15H2,1H3
InChIKeyHVCCLLURAGVUAK-UHFFFAOYSA-N
XLogP2.72
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (CID 644666) is 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is HVCCLLURAGVUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-2-6-18(19-20-21-22-25(19)15-17-9-5-14-26-17)24-12-10-23(11-13-24)16-7-3-4-8-16/h5,9,14,16,18H,2-4,6-8,10-13,15H2,1H3.
What are the key properties of 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 358.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 644666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).