(2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide

C32H34F6N4O3 — CID 59118632

IUPAC(2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide
SMILESCOc1ccc(NC(=O)NC2CCN([C@H](C(=O)N(C)CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H34F6N4O3/c1-41(15-12-21-18-23(31(33,34)35)20-24(19-21)32(36,37)38)29(43)28(22-6-4-3-5-7-22)42-16-13-26(14-17-42)40-30(44)39-25-8-10-27(45-2)11-9-25/h3-11,18-20,26,28H,12-17H2,1-2H3,(H2,39,40,44)/t28-/m0/s1
InChIKeyALVSXLVRUQBDBM-NDEPHWFRSA-N
MW636.64 g/mol
LogP6.76
Rot. Bonds9

About (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide

(2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide (PubChem CID 59118632) has the molecular formula C32H34F6N4O3 and a molecular weight of 636.64 g/mol. Its IUPAC name is (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide
PubChem CID59118632
Molecular FormulaC32H34F6N4O3
Molecular Weight636.64 g/mol
Exact Mass636.25
IUPAC Name(2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide
SMILESCOc1ccc(NC(=O)NC2CCN([C@H](C(=O)N(C)CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H34F6N4O3/c1-41(15-12-21-18-23(31(33,34)35)20-24(19-21)32(36,37)38)29(43)28(22-6-4-3-5-7-22)42-16-13-26(14-17-42)40-30(44)39-25-8-10-27(45-2)11-9-25/h3-11,18-20,26,28H,12-17H2,1-2H3,(H2,39,40,44)/t28-/m0/s1
InChIKeyALVSXLVRUQBDBM-NDEPHWFRSA-N
XLogP6.76
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.64
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide 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

Succinamide peptidomimetic, 26
CID 11168385
Succinamide peptidomimetic, 27
CID 11168613
Succinamide peptidomimetic, 14
CID 11261516
Succinamide peptidomimetic, 31
CID 11283547
Succinamide peptidomimetic, 30
CID 11387157
Succinamide peptidomimetic, 13
CID 11433280
Succinamide peptidomimetic, 29
CID 11478637
(2S)-4-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]butanamide
CID 23648314
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-2-phenylacetamide
CID 23648315
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-3-(4-methylphenyl)-2-[(3-methylphenyl)formamido]propanamide
CID 23648320
Arylaminoethyl amide, 5k
CID 23648321
(2S)-3-(4-acetamidophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648323

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide (CID 59118632) is (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide is COc1ccc(NC(=O)NC2CCN([C@H](C(=O)N(C)CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide?
The InChIKey is ALVSXLVRUQBDBM-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H34F6N4O3/c1-41(15-12-21-18-23(31(33,34)35)20-24(19-21)32(36,37)38)29(43)28(22-6-4-3-5-7-22)42-16-13-26(14-17-42)40-30(44)39-25-8-10-27(45-2)11-9-25/h3-11,18-20,26,28H,12-17H2,1-2H3,(H2,39,40,44)/t28-/m0/s1.
What are the key properties of (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide?
(2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide has a molecular weight of 636.64 g/mol, XLogP of 6.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-methoxyphenyl)carbamoylamino]piperidin-1-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 59118632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).