3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide

C24H34F3N3O3 — CID 46032253

IUPAC3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide
SMILESCC(C)CNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H34F3N3O3/c1-15(2)13-20(31)29-21(22(32)28-14-16(3)4)17-9-11-30(12-10-17)23(33)18-5-7-19(8-6-18)24(25,26)27/h5-8,15-17,21H,9-14H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyLQQHPFZDQDCPNY-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.86
Rot. Bonds8

About 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide

3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide (PubChem CID 46032253) has the molecular formula C24H34F3N3O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide
PubChem CID46032253
Molecular FormulaC24H34F3N3O3
Molecular Weight469.55 g/mol
Exact Mass469.26
IUPAC Name3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide
SMILESCC(C)CNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H34F3N3O3/c1-15(2)13-20(31)29-21(22(32)28-14-16(3)4)17-9-11-30(12-10-17)23(33)18-5-7-19(8-6-18)24(25,26)27/h5-8,15-17,21H,9-14H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyLQQHPFZDQDCPNY-UHFFFAOYSA-N
XLogP3.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide (CID 46032253) is 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide is CC(C)CNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide?
The InChIKey is LQQHPFZDQDCPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N3O3/c1-15(2)13-20(31)29-21(22(32)28-14-16(3)4)17-9-11-30(12-10-17)23(33)18-5-7-19(8-6-18)24(25,26)27/h5-8,15-17,21H,9-14H2,1-4H3,(H,28,32)(H,29,31).
What are the key properties of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide?
3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide has a molecular weight of 469.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]butanamide is sourced from PubChem (CID 46032253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).