3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide

C20H28F3N3O2 — CID 120579027

IUPAC3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C20H28F3N3O2/c1-14(11-15-5-4-6-16(12-15)20(21,22)23)19(28)26-10-3-2-7-17(26)13-25-18(27)8-9-24/h4-6,12,14,17H,2-3,7-11,13,24H2,1H3,(H,25,27)
InChIKeyDTHKQFCZXUVWHT-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.73
Rot. Bonds7

About 3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120579027) has the molecular formula C20H28F3N3O2 and a molecular weight of 399.46 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide
PubChem CID120579027
Molecular FormulaC20H28F3N3O2
Molecular Weight399.46 g/mol
Exact Mass399.21
IUPAC Name3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C20H28F3N3O2/c1-14(11-15-5-4-6-16(12-15)20(21,22)23)19(28)26-10-3-2-7-17(26)13-25-18(27)8-9-24/h4-6,12,14,17H,2-3,7-11,13,24H2,1H3,(H,25,27)
InChIKeyDTHKQFCZXUVWHT-UHFFFAOYSA-N
XLogP2.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 119649404
1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119355623
3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120579881
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579611
3-amino-N-[[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911502
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 119649401
(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 124593410
3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578975
3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide
CID 120578113
[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
CID 95294540

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide (CID 120579027) is 3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide is CC(Cc1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is DTHKQFCZXUVWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2/c1-14(11-15-5-4-6-16(12-15)20(21,22)23)19(28)26-10-3-2-7-17(26)13-25-18(27)8-9-24/h4-6,12,14,17H,2-3,7-11,13,24H2,1H3,(H,25,27).
What are the key properties of 3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 399.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).