N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide

C23H33F3N4O2 — CID 93057955

IUPACN-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
SMILESC[C@@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H33F3N4O2/c1-18-4-2-3-12-28(18)16-17-30(13-9-21(31)29-14-10-27-11-15-29)22(32)19-5-7-20(8-6-19)23(24,25)26/h5-8,18,27H,2-4,9-17H2,1H3/t18-/m1/s1
InChIKeyWTLHNXUMMDHEFL-GOSISDBHSA-N
MW454.54 g/mol
LogP2.84
Rot. Bonds7

About N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide

N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide (PubChem CID 93057955) has the molecular formula C23H33F3N4O2 and a molecular weight of 454.54 g/mol. Its IUPAC name is N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
PubChem CID93057955
Molecular FormulaC23H33F3N4O2
Molecular Weight454.54 g/mol
Exact Mass454.26
IUPAC NameN-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
SMILESC[C@@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H33F3N4O2/c1-18-4-2-3-12-28(18)16-17-30(13-9-21(31)29-14-10-27-11-15-29)22(32)19-5-7-20(8-6-19)23(24,25)26/h5-8,18,27H,2-4,9-17H2,1H3/t18-/m1/s1
InChIKeyWTLHNXUMMDHEFL-GOSISDBHSA-N
XLogP2.84
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-bromo-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 93057932
3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779591
3-bromo-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779638
3,4,5-trimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 93057957
N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
CID 50779268
N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide
CID 93057923
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-piperidin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057582
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 94078074
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057558
3-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056759
5-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 146056750
4-ethoxy-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056757

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide (CID 93057955) is N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide is C[C@@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
The InChIKey is WTLHNXUMMDHEFL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H33F3N4O2/c1-18-4-2-3-12-28(18)16-17-30(13-9-21(31)29-14-10-27-11-15-29)22(32)19-5-7-20(8-6-19)23(24,25)26/h5-8,18,27H,2-4,9-17H2,1H3/t18-/m1/s1.
What are the key properties of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide has a molecular weight of 454.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 93057955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).