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

C20H30N6O — CID 1445095

IUPAC2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C20H30N6O/c1-5-20(3,4)26-18(22-23-24-26)14-25-12-10-16(11-13-25)21-19(27)17-9-7-6-8-15(17)2/h6-9,16H,5,10-14H2,1-4H3,(H,21,27)
InChIKeyGQIJBPBYFVBANC-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.52
Rot. Bonds6

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

2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 1445095) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
PubChem CID1445095
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C20H30N6O/c1-5-20(3,4)26-18(22-23-24-26)14-25-12-10-16(11-13-25)21-19(27)17-9-7-6-8-15(17)2/h6-9,16H,5,10-14H2,1-4H3,(H,21,27)
InChIKeyGQIJBPBYFVBANC-UHFFFAOYSA-N
XLogP2.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (CID 1445095) is 2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is CCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccccc2C)CC1.
What is the InChIKey of 2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is GQIJBPBYFVBANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-5-20(3,4)26-18(22-23-24-26)14-25-12-10-16(11-13-25)21-19(27)17-9-7-6-8-15(17)2/h6-9,16H,5,10-14H2,1-4H3,(H,21,27).
What are the key properties of 2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 370.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 1445095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).