N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide

C27H34F3N3O2 — CID 134423107

IUPACN-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)NCC(=O)CN1CCC(CNC(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)CC1
InChIInChI=1S/C27H34F3N3O2/c1-26(2,3)32-17-24(34)18-33-12-10-19(11-13-33)16-31-25(35)22-8-4-6-20(14-22)21-7-5-9-23(15-21)27(28,29)30/h4-9,14-15,19,32H,10-13,16-18H2,1-3H3,(H,31,35)
InChIKeyUYRJIFUUKSHSJU-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.77
Rot. Bonds8

About N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide

N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 134423107) has the molecular formula C27H34F3N3O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID134423107
Molecular FormulaC27H34F3N3O2
Molecular Weight489.58 g/mol
Exact Mass489.26
IUPAC NameN-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)NCC(=O)CN1CCC(CNC(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)CC1
InChIInChI=1S/C27H34F3N3O2/c1-26(2,3)32-17-24(34)18-33-12-10-19(11-13-33)16-31-25(35)22-8-4-6-20(14-22)21-7-5-9-23(15-21)27(28,29)30/h4-9,14-15,19,32H,10-13,16-18H2,1-3H3,(H,31,35)
InChIKeyUYRJIFUUKSHSJU-UHFFFAOYSA-N
XLogP4.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 134801187
N-[[1-(thian-4-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzamide
CID 91814223
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
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
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethyl)benzamide
CID 69471068
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 69170249
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 26334003

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide (CID 134423107) is N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide is CC(C)(C)NCC(=O)CN1CCC(CNC(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)CC1.
What is the InChIKey of N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UYRJIFUUKSHSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N3O2/c1-26(2,3)32-17-24(34)18-33-12-10-19(11-13-33)16-31-25(35)22-8-4-6-20(14-22)21-7-5-9-23(15-21)27(28,29)30/h4-9,14-15,19,32H,10-13,16-18H2,1-3H3,(H,31,35).
What are the key properties of N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide?
N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 489.58 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 134423107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).