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

C15H27N7O — CID 55551448

IUPAC2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C15H27N7O/c1-3-21(4-2)15(23)12-20-9-7-19(8-10-20)11-14-16-17-18-22(14)13-5-6-13/h13H,3-12H2,1-2H3
InChIKeyOMCSUMBWIPUYKE-UHFFFAOYSA-N
MW321.43 g/mol
LogP-0.01
Rot. Bonds7

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

2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55551448) has the molecular formula C15H27N7O and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55551448
Molecular FormulaC15H27N7O
Molecular Weight321.43 g/mol
Exact Mass321.23
IUPAC Name2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C15H27N7O/c1-3-21(4-2)15(23)12-20-9-7-19(8-10-20)11-14-16-17-18-22(14)13-5-6-13/h13H,3-12H2,1-2H3
InChIKeyOMCSUMBWIPUYKE-UHFFFAOYSA-N
XLogP-0.01
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide (CID 55551448) is 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(Cc2nnnn2C2CC2)CC1.
What is the InChIKey of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is OMCSUMBWIPUYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O/c1-3-21(4-2)15(23)12-20-9-7-19(8-10-20)11-14-16-17-18-22(14)13-5-6-13/h13H,3-12H2,1-2H3.
What are the key properties of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 321.43 g/mol, XLogP of -0.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55551448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).