2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide

C16H31N7O — CID 55462460

IUPAC2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCCCn1nnnc1CN1CCN(CC(=O)N(CC)CC)CC1
InChIInChI=1S/C16H31N7O/c1-4-7-8-23-15(17-18-19-23)13-20-9-11-21(12-10-20)14-16(24)22(5-2)6-3/h4-14H2,1-3H3
InChIKeyQEPVHEPHMKCSMD-UHFFFAOYSA-N
MW337.47 g/mol
LogP0.46
Rot. Bonds9

About 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55462460) has the molecular formula C16H31N7O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55462460
Molecular FormulaC16H31N7O
Molecular Weight337.47 g/mol
Exact Mass337.26
IUPAC Name2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCCCn1nnnc1CN1CCN(CC(=O)N(CC)CC)CC1
InChIInChI=1S/C16H31N7O/c1-4-7-8-23-15(17-18-19-23)13-20-9-11-21(12-10-20)14-16(24)22(5-2)6-3/h4-14H2,1-3H3
InChIKeyQEPVHEPHMKCSMD-UHFFFAOYSA-N
XLogP0.46
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide (CID 55462460) is 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide is CCCCn1nnnc1CN1CCN(CC(=O)N(CC)CC)CC1.
What is the InChIKey of 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is QEPVHEPHMKCSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N7O/c1-4-7-8-23-15(17-18-19-23)13-20-9-11-21(12-10-20)14-16(24)22(5-2)6-3/h4-14H2,1-3H3.
What are the key properties of 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 337.47 g/mol, XLogP of 0.46, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55462460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).