N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

C20H28N6O2 — CID 42241219

IUPACN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(C)C[C@@H]2Cc3ccccc3O2)CC1
InChIInChI=1S/C20H28N6O2/c1-15-7-9-25(10-8-15)13-19-21-22-23-26(19)14-20(27)24(2)12-17-11-16-5-3-4-6-18(16)28-17/h3-6,15,17H,7-14H2,1-2H3/t17-/m0/s1
InChIKeyXVGUSHUEPGQNNO-KRWDZBQOSA-N
MW384.48 g/mol
LogP1.37
Rot. Bonds6

About N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (PubChem CID 42241219) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
PubChem CID42241219
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(C)C[C@@H]2Cc3ccccc3O2)CC1
InChIInChI=1S/C20H28N6O2/c1-15-7-9-25(10-8-15)13-19-21-22-23-26(19)14-20(27)24(2)12-17-11-16-5-3-4-6-18(16)28-17/h3-6,15,17H,7-14H2,1-2H3/t17-/m0/s1
InChIKeyXVGUSHUEPGQNNO-KRWDZBQOSA-N
XLogP1.37
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 42591469
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]-N-methylacetamide
CID 29087580
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 42155428
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide
CID 25382967
N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
CID 42287110
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(2-hydroxy-2-phenylethyl)-N-methylacetamide
CID 45248605
2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]acetic acid
CID 66348185
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
CID 30936842
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 134099253
2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol
CID 66365603
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 72901532

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (CID 42241219) is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is CC1CCN(Cc2nnnn2CC(=O)N(C)C[C@@H]2Cc3ccccc3O2)CC1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is XVGUSHUEPGQNNO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15-7-9-25(10-8-15)13-19-21-22-23-26(19)14-20(27)24(2)12-17-11-16-5-3-4-6-18(16)28-17/h3-6,15,17H,7-14H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 42241219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).