N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide

C23H28N6O — CID 1462997

IUPACN-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cn1nnc(-c2ccc(CN3CCC(C)CC3)cc2)n1
InChIInChI=1S/C23H28N6O/c1-17-11-13-28(14-12-17)15-19-7-9-20(10-8-19)23-25-27-29(26-23)16-22(30)24-21-6-4-3-5-18(21)2/h3-10,17H,11-16H2,1-2H3,(H,24,30)
InChIKeyGKJDQZHCISBWQD-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.52
Rot. Bonds6

About N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide

N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide (PubChem CID 1462997) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
PubChem CID1462997
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cn1nnc(-c2ccc(CN3CCC(C)CC3)cc2)n1
InChIInChI=1S/C23H28N6O/c1-17-11-13-28(14-12-17)15-19-7-9-20(10-8-19)23-25-27-29(26-23)16-22(30)24-21-6-4-3-5-18(21)2/h3-10,17H,11-16H2,1-2H3,(H,24,30)
InChIKeyGKJDQZHCISBWQD-UHFFFAOYSA-N
XLogP3.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide (CID 1462997) is N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide is Cc1ccccc1NC(=O)Cn1nnc(-c2ccc(CN3CCC(C)CC3)cc2)n1.
What is the InChIKey of N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is GKJDQZHCISBWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-11-13-28(14-12-17)15-19-7-9-20(10-8-19)23-25-27-29(26-23)16-22(30)24-21-6-4-3-5-18(21)2/h3-10,17H,11-16H2,1-2H3,(H,24,30).
What are the key properties of N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 404.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 1462997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).