1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone

C20H35N7O — CID 25379691

IUPAC1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C20H35N7O/c1-17-7-9-24(10-8-17)15-19-21-22-23-27(19)16-20(28)26-13-11-25(12-14-26)18-5-3-2-4-6-18/h17-18H,2-16H2,1H3
InChIKeyHIGHALMFZYXGOW-UHFFFAOYSA-N
MW389.55 g/mol
LogP1.38
Rot. Bonds5

About 1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone

1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (PubChem CID 25379691) has the molecular formula C20H35N7O and a molecular weight of 389.55 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
PubChem CID25379691
Molecular FormulaC20H35N7O
Molecular Weight389.55 g/mol
Exact Mass389.29
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C20H35N7O/c1-17-7-9-24(10-8-17)15-19-21-22-23-27(19)16-20(28)26-13-11-25(12-14-26)18-5-3-2-4-6-18/h17-18H,2-16H2,1H3
InChIKeyHIGHALMFZYXGOW-UHFFFAOYSA-N
XLogP1.38
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (CID 25379691) is 1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is CC1CCN(Cc2nnnn2CC(=O)N2CCN(C3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The InChIKey is HIGHALMFZYXGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N7O/c1-17-7-9-24(10-8-17)15-19-21-22-23-27(19)16-20(28)26-13-11-25(12-14-26)18-5-3-2-4-6-18/h17-18H,2-16H2,1H3.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone has a molecular weight of 389.55 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 25379691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).