N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide

C24H26ClF4N3O2 — CID 508771

IUPACN-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H26ClF4N3O2/c1-15(31-23(34)18-4-7-21(26)20(12-18)24(27,28)29)22(33)30-13-16-8-10-32(11-9-16)14-17-2-5-19(25)6-3-17/h2-7,12,15-16H,8-11,13-14H2,1H3,(H,30,33)(H,31,34)
InChIKeyGNHOARIKKXHUQH-UHFFFAOYSA-N
MW499.94 g/mol
LogP4.64
Rot. Bonds7

About N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 508771) has the molecular formula C24H26ClF4N3O2 and a molecular weight of 499.94 g/mol. Its IUPAC name is N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID508771
Molecular FormulaC24H26ClF4N3O2
Molecular Weight499.94 g/mol
Exact Mass499.16
IUPAC NameN-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H26ClF4N3O2/c1-15(31-23(34)18-4-7-21(26)20(12-18)24(27,28)29)22(33)30-13-16-8-10-32(11-9-16)14-17-2-5-19(25)6-3-17/h2-7,12,15-16H,8-11,13-14H2,1H3,(H,30,33)(H,31,34)
InChIKeyGNHOARIKKXHUQH-UHFFFAOYSA-N
XLogP4.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.94
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
CID 508768
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-3-(dimethylamino)benzamide
CID 508774
3,4-dichloro-N-[(2S)-1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 509007
3-chloro-N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 508791
(2S)-2-[(4-chlorophenyl)carbamothioylamino]-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 3006343
tert-butyl N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18426232
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
(2S)-2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-hydroxypropanamide
CID 69214587
2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-methoxypropanamide
CID 69216235
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546114
2-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 131942096
2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110309152

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 508771) is N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide is CC(NC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is GNHOARIKKXHUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF4N3O2/c1-15(31-23(34)18-4-7-21(26)20(12-18)24(27,28)29)22(33)30-13-16-8-10-32(11-9-16)14-17-2-5-19(25)6-3-17/h2-7,12,15-16H,8-11,13-14H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 499.94 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 508771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).