1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide

C17H32N6O — CID 647785

IUPAC1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCCC(C)(C)n1nnnc1C(CC(C)C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H32N6O/c1-6-17(4,5)23-16(19-20-21-23)14(11-12(2)3)22-9-7-13(8-10-22)15(18)24/h12-14H,6-11H2,1-5H3,(H2,18,24)
InChIKeyOZLINPQJPZYEMP-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.10
Rot. Bonds7

About 1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide

1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide (PubChem CID 647785) has the molecular formula C17H32N6O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
PubChem CID647785
Molecular FormulaC17H32N6O
Molecular Weight336.48 g/mol
Exact Mass336.26
IUPAC Name1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCCC(C)(C)n1nnnc1C(CC(C)C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H32N6O/c1-6-17(4,5)23-16(19-20-21-23)14(11-12(2)3)22-9-7-13(8-10-22)15(18)24/h12-14H,6-11H2,1-5H3,(H2,18,24)
InChIKeyOZLINPQJPZYEMP-UHFFFAOYSA-N
XLogP2.10
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide (CID 647785) is 1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide is CCC(C)(C)n1nnnc1C(CC(C)C)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The InChIKey is OZLINPQJPZYEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O/c1-6-17(4,5)23-16(19-20-21-23)14(11-12(2)3)22-9-7-13(8-10-22)15(18)24/h12-14H,6-11H2,1-5H3,(H2,18,24).
What are the key properties of 1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 647785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).