2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide

C21H23N7O3 — CID 131949102

IUPAC2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cc1
InChIInChI=1S/C21H23N7O3/c1-14-2-4-15(5-3-14)13-28-11-10-22-20(30)18(28)12-19(29)23-16-6-8-17(9-7-16)31-21-24-26-27-25-21/h2-9,18H,10-13H2,1H3,(H,22,30)(H,23,29)(H,24,25,26,27)
InChIKeyUFROQBDASUNEKH-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.63
Rot. Bonds7

About 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide

2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide (PubChem CID 131949102) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
PubChem CID131949102
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cc1
InChIInChI=1S/C21H23N7O3/c1-14-2-4-15(5-3-14)13-28-11-10-22-20(30)18(28)12-19(29)23-16-6-8-17(9-7-16)31-21-24-26-27-25-21/h2-9,18H,10-13H2,1H3,(H,22,30)(H,23,29)(H,24,25,26,27)
InChIKeyUFROQBDASUNEKH-UHFFFAOYSA-N
XLogP1.63
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-((3-((4-(1H-tetrazol-5-yl)benzyl)(methyl)amino)propyl)(methyl)amino)-N-(4-phenoxyphenyl)acetamide
CID 44567664
1-Benzyl-3-(4-(4-methoxyphenyl)piperazin-1-yl)pyrrolidine-2,5-dione
CID 4364255
3-(4-Methoxy-phenylamino)-1-phenethyl-pyrrolidine-2,5-dione
CID 2852769
N-Cyclopentylcarbamoylmethyl-N-(4-methoxy-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 656377
3-((4-Methoxyphenyl)amino)-1-(m-tolyl)pyrrolidine-2,5-dione
CID 2971667
1-(4-Methoxyphenyl)-3-[(4-methylphenyl)amino]azolidine-2,5-dione
CID 5102677
1-(4-methoxyphenyl)-5-oxo-N-{(2S)-1-oxo-1-[(2-phenylethyl)amino]propan-2-yl}pyrrolidine-3-carboxamide
CID 17578561
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24979928
1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 42884481
1-(4-methoxyphenyl)-5-oxo-N-((2S)-1-oxo-1-((1-phenylethyl)amino)propan-2-yl)pyrrolidine-3-carboxamide
CID 17578376
1-[(4-Fluorophenyl)methyl]-N-{3-[4-(4-methoxyphenyl)piperazin-1-YL]propyl}-5-oxopyrrolidine-2-carboxamide
CID 20968511
3-[(1-Benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2877336

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide (CID 131949102) is 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide is Cc1ccc(CN2CCNC(=O)C2CC(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
The InChIKey is UFROQBDASUNEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-14-2-4-15(5-3-14)13-28-11-10-22-20(30)18(28)12-19(29)23-16-6-8-17(9-7-16)31-21-24-26-27-25-21/h2-9,18H,10-13H2,1H3,(H,22,30)(H,23,29)(H,24,25,26,27).
What are the key properties of 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide has a molecular weight of 421.46 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide is sourced from PubChem (CID 131949102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).