4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide

C19H27BrN6O — CID 1443840

IUPAC4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H27BrN6O/c1-4-19(2,3)26-17(22-23-24-26)13-25-11-9-16(10-12-25)21-18(27)14-5-7-15(20)8-6-14/h5-8,16H,4,9-13H2,1-3H3,(H,21,27)
InChIKeyCIDWMBFGIDEDKO-UHFFFAOYSA-N
MW435.37 g/mol
LogP2.98
Rot. Bonds6

About 4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide

4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 1443840) has the molecular formula C19H27BrN6O and a molecular weight of 435.37 g/mol. Its IUPAC name is 4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
PubChem CID1443840
Molecular FormulaC19H27BrN6O
Molecular Weight435.37 g/mol
Exact Mass434.14
IUPAC Name4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H27BrN6O/c1-4-19(2,3)26-17(22-23-24-26)13-25-11-9-16(10-12-25)21-18(27)14-5-7-15(20)8-6-14/h5-8,16H,4,9-13H2,1-3H3,(H,21,27)
InChIKeyCIDWMBFGIDEDKO-UHFFFAOYSA-N
XLogP2.98
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (CID 1443840) is 4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is CCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is CIDWMBFGIDEDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN6O/c1-4-19(2,3)26-17(22-23-24-26)13-25-11-9-16(10-12-25)21-18(27)14-5-7-15(20)8-6-14/h5-8,16H,4,9-13H2,1-3H3,(H,21,27).
What are the key properties of 4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 435.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 1443840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).