N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide

C25H28F3N3O3 — CID 46016012

IUPACN-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
SMILESCCCNC(=O)C(NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H28F3N3O3/c1-2-14-29-23(33)21(30-22(32)18-6-4-3-5-7-18)17-12-15-31(16-13-17)24(34)19-8-10-20(11-9-19)25(26,27)28/h3-11,17,21H,2,12-16H2,1H3,(H,29,33)(H,30,32)
InChIKeyXDMIRKVMSHGCRB-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.88
Rot. Bonds7

About N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide

N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide (PubChem CID 46016012) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
PubChem CID46016012
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC NameN-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
SMILESCCCNC(=O)C(NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H28F3N3O3/c1-2-14-29-23(33)21(30-22(32)18-6-4-3-5-7-18)17-12-15-31(16-13-17)24(34)19-8-10-20(11-9-19)25(26,27)28/h3-11,17,21H,2,12-16H2,1H3,(H,29,33)(H,30,32)
InChIKeyXDMIRKVMSHGCRB-UHFFFAOYSA-N
XLogP3.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46020113
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539
N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93182891
N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016035
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 93196622
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377
N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 93196865
N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 46019236
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
CID 93178716

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide (CID 46016012) is N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide is CCCNC(=O)C(NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?
The InChIKey is XDMIRKVMSHGCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c1-2-14-29-23(33)21(30-22(32)18-6-4-3-5-7-18)17-12-15-31(16-13-17)24(34)19-8-10-20(11-9-19)25(26,27)28/h3-11,17,21H,2,12-16H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide has a molecular weight of 475.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 46016012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).