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

C16H30N6O — CID 655071

IUPAC1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H30N6O/c1-6-16(4,5)22-15(18-19-20-22)13(11(2)3)21-9-7-12(8-10-21)14(17)23/h11-13H,6-10H2,1-5H3,(H2,17,23)
InChIKeyKIOXAUGWWYLKKN-UHFFFAOYSA-N
MW322.46 g/mol
LogP1.71
Rot. Bonds6

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

1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide (PubChem CID 655071) has the molecular formula C16H30N6O and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
PubChem CID655071
Molecular FormulaC16H30N6O
Molecular Weight322.46 g/mol
Exact Mass322.25
IUPAC Name1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H30N6O/c1-6-16(4,5)22-15(18-19-20-22)13(11(2)3)21-9-7-12(8-10-21)14(17)23/h11-13H,6-10H2,1-5H3,(H2,17,23)
InChIKeyKIOXAUGWWYLKKN-UHFFFAOYSA-N
XLogP1.71
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide (CID 655071) is 1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide is CCC(C)(C)n1nnnc1C(C(C)C)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The InChIKey is KIOXAUGWWYLKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O/c1-6-16(4,5)22-15(18-19-20-22)13(11(2)3)21-9-7-12(8-10-21)14(17)23/h11-13H,6-10H2,1-5H3,(H2,17,23).
What are the key properties of 1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 655071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).