N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C12H17F3N6O2 — CID 110871118

IUPACN-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN(Cc1nnnn1C)C(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N6O2/c1-19(7-9-16-17-18-20(9)2)10(22)8-3-5-21(6-4-8)11(23)12(13,14)15/h8H,3-7H2,1-2H3
InChIKeyZJVZMMZRWSWXBY-UHFFFAOYSA-N
MW334.30 g/mol
LogP-0.03
Rot. Bonds3

About N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110871118) has the molecular formula C12H17F3N6O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110871118
Molecular FormulaC12H17F3N6O2
Molecular Weight334.30 g/mol
Exact Mass334.14
IUPAC NameN-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN(Cc1nnnn1C)C(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N6O2/c1-19(7-9-16-17-18-20(9)2)10(22)8-3-5-21(6-4-8)11(23)12(13,14)15/h8H,3-7H2,1-2H3
InChIKeyZJVZMMZRWSWXBY-UHFFFAOYSA-N
XLogP-0.03
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110871118) is N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CN(Cc1nnnn1C)C(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is ZJVZMMZRWSWXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N6O2/c1-19(7-9-16-17-18-20(9)2)10(22)8-3-5-21(6-4-8)11(23)12(13,14)15/h8H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 334.30 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110871118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).