2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide

C23H22ClF6N3O2 — CID 54022110

IUPAC2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide
SMILESNC(=O)CNC1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H22ClF6N3O2/c24-17-3-1-13(2-4-17)7-19-11-18(32-12-20(31)34)5-6-33(19)21(35)14-8-15(22(25,26)27)10-16(9-14)23(28,29)30/h1-4,8-10,18-19,32H,5-7,11-12H2,(H2,31,34)
InChIKeyKZQLKDXHMINMMW-UHFFFAOYSA-N
MW521.89 g/mol
LogP4.67
Rot. Bonds6

About 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide

2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide (PubChem CID 54022110) has the molecular formula C23H22ClF6N3O2 and a molecular weight of 521.89 g/mol. Its IUPAC name is 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide
PubChem CID54022110
Molecular FormulaC23H22ClF6N3O2
Molecular Weight521.89 g/mol
Exact Mass521.13
IUPAC Name2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide
SMILESNC(=O)CNC1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H22ClF6N3O2/c24-17-3-1-13(2-4-17)7-19-11-18(32-12-20(31)34)5-6-33(19)21(35)14-8-15(22(25,26)27)10-16(9-14)23(28,29)30/h1-4,8-10,18-19,32H,5-7,11-12H2,(H2,31,34)
InChIKeyKZQLKDXHMINMMW-UHFFFAOYSA-N
XLogP4.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.89
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Dnk 333
CID 9939040
Eragidomide
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Ssr-504734
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Jnj-63533054
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CID 73442861
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
Ssr-103800
CID 53316381
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CID 11663047
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CID 11704260
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]acetamide
CID 44358731
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide?
The IUPAC name of 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide (CID 54022110) is 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide is NC(=O)CNC1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide?
The InChIKey is KZQLKDXHMINMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF6N3O2/c24-17-3-1-13(2-4-17)7-19-11-18(32-12-20(31)34)5-6-33(19)21(35)14-8-15(22(25,26)27)10-16(9-14)23(28,29)30/h1-4,8-10,18-19,32H,5-7,11-12H2,(H2,31,34).
What are the key properties of 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide?
2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide has a molecular weight of 521.89 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide is sourced from PubChem (CID 54022110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).