N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide

C22H33N7O2 — CID 26314961

IUPACN-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide
SMILESC[C@@H]1CN(Cc2nnnn2CC(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C22H33N7O2/c1-17-12-28(13-18(2)31-17)15-21-24-25-26-29(21)16-22(30)23-20-8-10-27(11-9-20)14-19-6-4-3-5-7-19/h3-7,17-18,20H,8-16H2,1-2H3,(H,23,30)/t17-,18+
InChIKeyDMCAMMFQDUXSSG-HDICACEKSA-N
MW427.55 g/mol
LogP1.06
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide (PubChem CID 26314961) has the molecular formula C22H33N7O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide
PubChem CID26314961
Molecular FormulaC22H33N7O2
Molecular Weight427.55 g/mol
Exact Mass427.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide
SMILESC[C@@H]1CN(Cc2nnnn2CC(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C22H33N7O2/c1-17-12-28(13-18(2)31-17)15-21-24-25-26-29(21)16-22(30)23-20-8-10-27(11-9-20)14-19-6-4-3-5-7-19/h3-7,17-18,20H,8-16H2,1-2H3,(H,23,30)/t17-,18+
InChIKeyDMCAMMFQDUXSSG-HDICACEKSA-N
XLogP1.06
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide (CID 26314961) is N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide is C[C@@H]1CN(Cc2nnnn2CC(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H](C)O1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide?
The InChIKey is DMCAMMFQDUXSSG-HDICACEKSA-N. The full InChI is InChI=1S/C22H33N7O2/c1-17-12-28(13-18(2)31-17)15-21-24-25-26-29(21)16-22(30)23-20-8-10-27(11-9-20)14-19-6-4-3-5-7-19/h3-7,17-18,20H,8-16H2,1-2H3,(H,23,30)/t17-,18+.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 26314961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).