N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C22H26N6O — CID 3153109

IUPACN-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H26N6O/c1-17-7-9-19(10-8-17)22-24-26-28(25-22)16-21(29)23-20-11-13-27(14-12-20)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,29)
InChIKeyPTPSPNFIKKXLAE-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.43
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 3153109) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID3153109
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H26N6O/c1-17-7-9-19(10-8-17)22-24-26-28(25-22)16-21(29)23-20-11-13-27(14-12-20)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,29)
InChIKeyPTPSPNFIKKXLAE-UHFFFAOYSA-N
XLogP2.43
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 3153109) is N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is PTPSPNFIKKXLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-17-7-9-19(10-8-17)22-24-26-28(25-22)16-21(29)23-20-11-13-27(14-12-20)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3153109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).