4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide

C16H27F3N2O2 — CID 95158301

IUPAC4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide
SMILESCCCN(CCC)C(=O)CCC(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C16H27F3N2O2/c1-3-9-20(10-4-2)14(22)7-8-15(23)21-11-5-6-13(12-21)16(17,18)19/h13H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyRDWVJIKZFTUEFL-ZDUSSCGKSA-N
MW336.40 g/mol
LogP3.22
Rot. Bonds7

About 4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide

4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide (PubChem CID 95158301) has the molecular formula C16H27F3N2O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide
PubChem CID95158301
Molecular FormulaC16H27F3N2O2
Molecular Weight336.40 g/mol
Exact Mass336.20
IUPAC Name4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide
SMILESCCCN(CCC)C(=O)CCC(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C16H27F3N2O2/c1-3-9-20(10-4-2)14(22)7-8-15(23)21-11-5-6-13(12-21)16(17,18)19/h13H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyRDWVJIKZFTUEFL-ZDUSSCGKSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide?
The IUPAC name of 4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide (CID 95158301) is 4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide.
What is the SMILES notation for 4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide?
The canonical SMILES for 4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide is CCCN(CCC)C(=O)CCC(=O)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide?
The InChIKey is RDWVJIKZFTUEFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27F3N2O2/c1-3-9-20(10-4-2)14(22)7-8-15(23)21-11-5-6-13(12-21)16(17,18)19/h13H,3-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide?
4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide has a molecular weight of 336.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 95158301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).