1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide

C30H37F6N3O3 — CID 143245500

IUPAC1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide
SMILESCO[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.NC(=O)CN1C[C@@H](CN2CCCCC2=O)CC[C@H]1c1ccccc1
InChIInChI=1S/C19H27N3O2.C11H10F6O/c20-18(23)14-22-13-15(12-21-11-5-4-8-19(21)24)9-10-17(22)16-6-2-1-3-7-16;1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h1-3,6-7,15,17H,4-5,8-14H2,(H2,20,23);3-6H,1-2H3/t15-,17+;6-/m11/s1
InChIKeySSYWKSXNEAXXOZ-FZAUBRTESA-N
MW601.63 g/mol
LogP6.37
Rot. Bonds7

About 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide

1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide (PubChem CID 143245500) has the molecular formula C30H37F6N3O3 and a molecular weight of 601.63 g/mol. Its IUPAC name is 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide.

Molecular Properties

Compound Name1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide
PubChem CID143245500
Molecular FormulaC30H37F6N3O3
Molecular Weight601.63 g/mol
Exact Mass601.27
IUPAC Name1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide
SMILESCO[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.NC(=O)CN1C[C@@H](CN2CCCCC2=O)CC[C@H]1c1ccccc1
InChIInChI=1S/C19H27N3O2.C11H10F6O/c20-18(23)14-22-13-15(12-21-11-5-4-8-19(21)24)9-10-17(22)16-6-2-1-3-7-16;1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h1-3,6-7,15,17H,4-5,8-14H2,(H2,20,23);3-6H,1-2H3/t15-,17+;6-/m11/s1
InChIKeySSYWKSXNEAXXOZ-FZAUBRTESA-N
XLogP6.37
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.63
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide 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

[(3S,6S)-1-(2-amino-2-oxoethyl)-6-phenylpiperidin-3-yl]methyl carbamate;1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene
CID 143245446
2-[5-[(benzylamino)methyl]-2-phenylpiperidin-1-yl]acetamide;1-(1-methoxyethyl)-3,5-bis(trifluoromethyl)benzene
CID 143245452
1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-(methylsulfonylmethyl)-2-phenylpiperidin-1-yl]acetamide
CID 143245551
2-[(2S,5R)-5-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]-2-phenylpiperidin-1-yl]acetamide;1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene
CID 143245581
1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;[(2S,5S)-2-phenyl-1-azabicyclo[3.3.1]nonan-5-yl]urea
CID 143245368
2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide
CID 143245392
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
2-[(2S,5S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(cyclopropylmethoxymethyl)-2-phenylpiperidin-1-yl]acetamide
CID 143245507
(4-aminocyclohexyl)-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidin-1-yl]methanone
CID 86606055
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide
CID 87675846
2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide
CID 94819890
1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;propan-2-yl N-(3-phenylcyclobutyl)carbamate
CID 142807949

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide?
The IUPAC name of 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide (CID 143245500) is 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide.
What is the SMILES notation for 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide?
The canonical SMILES for 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide is CO[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.NC(=O)CN1C[C@@H](CN2CCCCC2=O)CC[C@H]1c1ccccc1.
What is the InChIKey of 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide?
The InChIKey is SSYWKSXNEAXXOZ-FZAUBRTESA-N. The full InChI is InChI=1S/C19H27N3O2.C11H10F6O/c20-18(23)14-22-13-15(12-21-11-5-4-8-19(21)24)9-10-17(22)16-6-2-1-3-7-16;1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h1-3,6-7,15,17H,4-5,8-14H2,(H2,20,23);3-6H,1-2H3/t15-,17+;6-/m11/s1.
What are the key properties of 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide?
1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide has a molecular weight of 601.63 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene;2-[(2S,5S)-5-[(2-oxopiperidin-1-yl)methyl]-2-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 143245500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).