N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C23H25F3N6O — CID 56643412

IUPACN-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
InChIKeyAZRVSANIIWCDJQ-UHFFFAOYSA-N
MW458.49 g/mol
LogP3.35
Rot. Bonds6

About N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 56643412) has the molecular formula C23H25F3N6O and a molecular weight of 458.49 g/mol. Its IUPAC name is N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID56643412
Molecular FormulaC23H25F3N6O
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC NameN-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
InChIKeyAZRVSANIIWCDJQ-UHFFFAOYSA-N
XLogP3.35
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidophenyl)-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70693583
N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 52763841
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631991
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
2-[4-(tetrazol-1-yl)phenyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 78858538
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70680969
2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 59336139
N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 172933883
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide
CID 44524050
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601396

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 56643412) is N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is AZRVSANIIWCDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3.
What are the key properties of N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 458.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56643412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).