4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide

C14H23F3N6O — CID 56709392

IUPAC4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N6O/c1-11-4-7-22(8-5-11)9-12-19-20-21-23(12)6-2-3-13(24)18-10-14(15,16)17/h11H,2-10H2,1H3,(H,18,24)
InChIKeyCFAYEYQJDVFYJL-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.36
Rot. Bonds7

About 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide

4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 56709392) has the molecular formula C14H23F3N6O and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID56709392
Molecular FormulaC14H23F3N6O
Molecular Weight348.37 g/mol
Exact Mass348.19
IUPAC Name4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N6O/c1-11-4-7-22(8-5-11)9-12-19-20-21-23(12)6-2-3-13(24)18-10-14(15,16)17/h11H,2-10H2,1H3,(H,18,24)
InChIKeyCFAYEYQJDVFYJL-UHFFFAOYSA-N
XLogP1.36
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide (CID 56709392) is 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide is CC1CCN(Cc2nnnn2CCCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is CFAYEYQJDVFYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N6O/c1-11-4-7-22(8-5-11)9-12-19-20-21-23(12)6-2-3-13(24)18-10-14(15,16)17/h11H,2-10H2,1H3,(H,18,24).
What are the key properties of 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide?
4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 348.37 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 56709392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).