N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide

C22H26N6O — CID 651332

IUPACN-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C22H26N6O/c1-17-7-5-6-10-20(17)22(29)23-19-11-13-27(14-12-19)16-21-24-25-26-28(21)15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,23,29)
InChIKeyRLYJPAFKDGPFNJ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.42
Rot. Bonds6

About N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 651332) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID651332
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C22H26N6O/c1-17-7-5-6-10-20(17)22(29)23-19-11-13-27(14-12-19)16-21-24-25-26-28(21)15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,23,29)
InChIKeyRLYJPAFKDGPFNJ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide (CID 651332) is N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is RLYJPAFKDGPFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-17-7-5-6-10-20(17)22(29)23-19-11-13-27(14-12-19)16-21-24-25-26-28(21)15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,23,29).
What are the key properties of N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 390.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 651332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).