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

C23H28N6O — CID 646162

IUPAC2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C23H28N6O/c1-18-7-5-6-10-21(18)23(30)24-20-12-14-28(15-13-20)17-22-25-26-27-29(22)16-11-19-8-3-2-4-9-19/h2-10,20H,11-17H2,1H3,(H,24,30)
InChIKeyVULHWPAAWCHTDL-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.62
Rot. Bonds7

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

2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 646162) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
PubChem CID646162
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C23H28N6O/c1-18-7-5-6-10-21(18)23(30)24-20-12-14-28(15-13-20)17-22-25-26-27-29(22)16-11-19-8-3-2-4-9-19/h2-10,20H,11-17H2,1H3,(H,24,30)
InChIKeyVULHWPAAWCHTDL-UHFFFAOYSA-N
XLogP2.62
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 146680839
4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)-N-methylbenzamide
CID 49865290
4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)benzamide
CID 49865489
N-[1-(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-2-methyl-benzamide
CID 1445102
5-(Biphenyl-3-ylcarboxamidomethyl)-N,N-dimethyl-1H-tetrazole-1-carboxamide
CID 24795718
4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide
CID 162650273
4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162652849
4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162654901
4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide
CID 162655485
4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide
CID 162657997
4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide
CID 162660527
N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 162662378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (CID 646162) is 2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is VULHWPAAWCHTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-18-7-5-6-10-21(18)23(30)24-20-12-14-28(15-13-20)17-22-25-26-27-29(22)16-11-19-8-3-2-4-9-19/h2-10,20H,11-17H2,1H3,(H,24,30).
What are the key properties of 2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 404.52 g/mol, XLogP of 2.62, 7 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-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 646162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).