N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide

C24H25F4N3O4 — CID 158288790

IUPACN-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cc2F)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H25F4N3O4/c1-35-19-9-7-18(8-10-19)31(23(34)30-11-3-2-4-12-30)15-17-6-5-16(13-20(17)25)21(32)14-29-22(33)24(26,27)28/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,29,33)
InChIKeyUROITRVTYNXZHC-UHFFFAOYSA-N
MW495.47 g/mol
LogP4.31
Rot. Bonds7

About N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide

N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 158288790) has the molecular formula C24H25F4N3O4 and a molecular weight of 495.47 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID158288790
Molecular FormulaC24H25F4N3O4
Molecular Weight495.47 g/mol
Exact Mass495.18
IUPAC NameN-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cc2F)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H25F4N3O4/c1-35-19-9-7-18(8-10-19)31(23(34)30-11-3-2-4-12-30)15-17-6-5-16(13-20(17)25)21(32)14-29-22(33)24(26,27)28/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,29,33)
InChIKeyUROITRVTYNXZHC-UHFFFAOYSA-N
XLogP4.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-fluoro-4-[[4-methoxy-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate
CID 175166159
methyl 4-[(N-(4-ethylpiperazine-1-carbonyl)-4-methoxyanilino)methyl]-3-fluorobenzoate
CID 140894210
N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide
CID 158551733
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-methoxyphenyl)thiomorpholine-4-carboxamide
CID 172820030
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 159569204
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 157138478
CID 153240807
CID 153240807
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-methyl-N-phenyl-1,4-diazepane-1-carboxamide
CID 158447662
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide;methyl 3-fluoro-4-[[4-[(4-methylpiperazin-1-yl)methyl]-N-(piperidine-1-carbonyl)anilino]methyl]benzoate
CID 159840471
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide
CID 158373017
2,2,2-trifluoro-N-[2-[3-fluoro-4-[(4-methyl-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide
CID 159418025
N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
CID 161417906

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 158288790) is N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cc2F)C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is UROITRVTYNXZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N3O4/c1-35-19-9-7-18(8-10-19)31(23(34)30-11-3-2-4-12-30)15-17-6-5-16(13-20(17)25)21(32)14-29-22(33)24(26,27)28/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,29,33).
What are the key properties of N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 495.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 158288790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).