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

C19H28N6O — CID 43814699

IUPACN-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N6O/c1-4-19(2,3)25-17(21-22-23-25)14-24-12-10-16(11-13-24)20-18(26)15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,20,26)
InChIKeyNRMUGBXAUCLJTH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.21
Rot. Bonds6

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

N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 43814699) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
PubChem CID43814699
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N6O/c1-4-19(2,3)25-17(21-22-23-25)14-24-12-10-16(11-13-24)20-18(26)15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,20,26)
InChIKeyNRMUGBXAUCLJTH-UHFFFAOYSA-N
XLogP2.21
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 1443840
N-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 33107610
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 652756
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (CID 43814699) is N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is CCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is NRMUGBXAUCLJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-19(2,3)25-17(21-22-23-25)14-24-12-10-16(11-13-24)20-18(26)15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,20,26).
What are the key properties of N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 356.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 43814699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).