N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide

C22H25ClN6O — CID 3220587

IUPACN-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
SMILESCC1CCN(Cc2ccc(-c3nnn(CC(=O)Nc4ccccc4Cl)n3)cc2)CC1
InChIInChI=1S/C22H25ClN6O/c1-16-10-12-28(13-11-16)14-17-6-8-18(9-7-17)22-25-27-29(26-22)15-21(30)24-20-5-3-2-4-19(20)23/h2-9,16H,10-15H2,1H3,(H,24,30)
InChIKeyXFFHTBWRCNKXEI-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.86
Rot. Bonds6

About N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide

N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide (PubChem CID 3220587) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
PubChem CID3220587
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC NameN-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
SMILESCC1CCN(Cc2ccc(-c3nnn(CC(=O)Nc4ccccc4Cl)n3)cc2)CC1
InChIInChI=1S/C22H25ClN6O/c1-16-10-12-28(13-11-16)14-17-6-8-18(9-7-17)22-25-27-29(26-22)15-21(30)24-20-5-3-2-4-19(20)23/h2-9,16H,10-15H2,1H3,(H,24,30)
InChIKeyXFFHTBWRCNKXEI-UHFFFAOYSA-N
XLogP3.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Morpholin-4-yl-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 644884
N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462999
N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462997
2-[N-(4-Fluorophenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-YL]acetamido]-N-(3-methylbutyl)acetamide
CID 3179345
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 24982613
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16609298
Acetamide, 2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-N-(2,4-difluorophenyl)-
CID 586782
2-[5-(2-Chloro-phenyl)-tetrazol-2-yl]-N-(3-trifluoromethyl-phenyl)-acetamide
CID 586784
N-[2-(benzylamino)-2-oxoethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3180720
2H-Tetrazolium, 3-(2-chlorophenyl)-5-phenyl-2-((4-phenyl-1-piperazinyl)acetyl)-, chloride
CID 3080232
2H-Tetrazolium, 3-(3-chlorophenyl)-5-phenyl-2-((4-phenyl-1-piperazinyl)acetyl)-, chloride
CID 3080238
2-[5-(3-chlorophenyl)-2H-tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7490867

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide (CID 3220587) is N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide is CC1CCN(Cc2ccc(-c3nnn(CC(=O)Nc4ccccc4Cl)n3)cc2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is XFFHTBWRCNKXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-16-10-12-28(13-11-16)14-17-6-8-18(9-7-17)22-25-27-29(26-22)15-21(30)24-20-5-3-2-4-19(20)23/h2-9,16H,10-15H2,1H3,(H,24,30).
What are the key properties of N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 424.94 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 3220587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).