1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one

C21H35N7O2 — CID 42286571

IUPAC1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N2CCN(C3CCCC3)C(=O)C2)CC1
InChIInChI=1S/C21H35N7O2/c1-17-8-11-25(12-9-17)15-19-22-23-24-28(19)10-4-7-20(29)26-13-14-27(21(30)16-26)18-5-2-3-6-18/h17-18H,2-16H2,1H3
InChIKeyBUKRZOIZHXUMRG-UHFFFAOYSA-N
MW417.56 g/mol
LogP1.30
Rot. Bonds7

About 1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one

1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one (PubChem CID 42286571) has the molecular formula C21H35N7O2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one
PubChem CID42286571
Molecular FormulaC21H35N7O2
Molecular Weight417.56 g/mol
Exact Mass417.29
IUPAC Name1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N2CCN(C3CCCC3)C(=O)C2)CC1
InChIInChI=1S/C21H35N7O2/c1-17-8-11-25(12-9-17)15-19-22-23-24-28(19)10-4-7-20(29)26-13-14-27(21(30)16-26)18-5-2-3-6-18/h17-18H,2-16H2,1H3
InChIKeyBUKRZOIZHXUMRG-UHFFFAOYSA-N
XLogP1.30
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one (CID 42286571) is 1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one is CC1CCN(Cc2nnnn2CCCC(=O)N2CCN(C3CCCC3)C(=O)C2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one?
The InChIKey is BUKRZOIZHXUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N7O2/c1-17-8-11-25(12-9-17)15-19-22-23-24-28(19)10-4-7-20(29)26-13-14-27(21(30)16-26)18-5-2-3-6-18/h17-18H,2-16H2,1H3.
What are the key properties of 1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one?
1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one has a molecular weight of 417.56 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-2-one is sourced from PubChem (CID 42286571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).