N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide

C22H24F3N7O — CID 70683089

IUPACN-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide
SMILESCN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C22H24F3N7O/c1-30(21(33)12-16-2-5-19(6-3-16)32-15-27-28-29-32)18-8-10-31(11-9-18)14-17-4-7-20(26-13-17)22(23,24)25/h2-7,13,15,18H,8-12,14H2,1H3
InChIKeyJFTWHNDQPJLOQP-UHFFFAOYSA-N
MW459.48 g/mol
LogP2.74
Rot. Bonds6

About N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide

N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide (PubChem CID 70683089) has the molecular formula C22H24F3N7O and a molecular weight of 459.48 g/mol. Its IUPAC name is N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide
PubChem CID70683089
Molecular FormulaC22H24F3N7O
Molecular Weight459.48 g/mol
Exact Mass459.20
IUPAC NameN-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide
SMILESCN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C22H24F3N7O/c1-30(21(33)12-16-2-5-19(6-3-16)32-15-27-28-29-32)18-8-10-31(11-9-18)14-17-4-7-20(26-13-17)22(23,24)25/h2-7,13,15,18H,8-12,14H2,1H3
InChIKeyJFTWHNDQPJLOQP-UHFFFAOYSA-N
XLogP2.74
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide (CID 70683089) is N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide is CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is JFTWHNDQPJLOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O/c1-30(21(33)12-16-2-5-19(6-3-16)32-15-27-28-29-32)18-8-10-31(11-9-18)14-17-4-7-20(26-13-17)22(23,24)25/h2-7,13,15,18H,8-12,14H2,1H3.
What are the key properties of N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide?
N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 459.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 70683089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).