N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide

C23H31F4N3O2 — CID 67567698

IUPACN-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide
SMILESO=C(CN1CCC(CNC(=O)c2cc(CF)cc(C(F)(F)F)c2)CC1)NC1CCCCC1
InChIInChI=1S/C23H31F4N3O2/c24-13-17-10-18(12-19(11-17)23(25,26)27)22(32)28-14-16-6-8-30(9-7-16)15-21(31)29-20-4-2-1-3-5-20/h10-12,16,20H,1-9,13-15H2,(H,28,32)(H,29,31)
InChIKeyCPHAODZMSMXOJS-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.07
Rot. Bonds7

About N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide

N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide (PubChem CID 67567698) has the molecular formula C23H31F4N3O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide
PubChem CID67567698
Molecular FormulaC23H31F4N3O2
Molecular Weight457.51 g/mol
Exact Mass457.24
IUPAC NameN-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide
SMILESO=C(CN1CCC(CNC(=O)c2cc(CF)cc(C(F)(F)F)c2)CC1)NC1CCCCC1
InChIInChI=1S/C23H31F4N3O2/c24-13-17-10-18(12-19(11-17)23(25,26)27)22(32)28-14-16-6-8-30(9-7-16)15-21(31)29-20-4-2-1-3-5-20/h10-12,16,20H,1-9,13-15H2,(H,28,32)(H,29,31)
InChIKeyCPHAODZMSMXOJS-UHFFFAOYSA-N
XLogP4.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(iodomethyl)-5-(trifluoromethyl)benzamide
CID 89410604
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123412557
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145
3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
CID 143903261
N-[2-(cyclobutylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 91363286
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
N-cyclohexyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922360
3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 86886749
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
N-[[1-[2-(4-cyanopiperidin-1-yl)acetyl]piperidin-4-yl]methyl]-3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)benzamide
CID 134423154
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63847192

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide (CID 67567698) is N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide is O=C(CN1CCC(CNC(=O)c2cc(CF)cc(C(F)(F)F)c2)CC1)NC1CCCCC1.
What is the InChIKey of N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is CPHAODZMSMXOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F4N3O2/c24-13-17-10-18(12-19(11-17)23(25,26)27)22(32)28-14-16-6-8-30(9-7-16)15-21(31)29-20-4-2-1-3-5-20/h10-12,16,20H,1-9,13-15H2,(H,28,32)(H,29,31).
What are the key properties of N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide?
N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 457.51 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 67567698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).