2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide

C17H23F3N2O — CID 143229752

IUPAC2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide
SMILESCC1CCCN(c2ccc(NC(=O)C(C)C)cc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O/c1-11(2)16(23)21-13-6-7-15(14(9-13)17(18,19)20)22-8-4-5-12(3)10-22/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,21,23)
InChIKeyPIBLQFLULZQPSB-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.54
Rot. Bonds3

About 2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide

2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 143229752) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide
PubChem CID143229752
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide
SMILESCC1CCCN(c2ccc(NC(=O)C(C)C)cc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O/c1-11(2)16(23)21-13-6-7-15(14(9-13)17(18,19)20)22-8-4-5-12(3)10-22/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,21,23)
InChIKeyPIBLQFLULZQPSB-UHFFFAOYSA-N
XLogP4.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide
CID 133354616
N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide
CID 99969006
N-cyclohexyl-N-ethylformamide;ethane;methyl N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]carbamate
CID 143229615
2-(3-methylpiperidin-1-yl)-5-(propanoylamino)benzoic acid
CID 50807477
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
2-methyl-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 46971969
5-benzamido-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083660
N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide
CID 91676092
3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 175211299
5-[(2-fluorobenzoyl)amino]-2-(3-methylpiperidin-1-yl)benzoic acid
CID 50807442
5-[(4-methylbenzoyl)amino]-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083649
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide (CID 143229752) is 2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide is CC1CCCN(c2ccc(NC(=O)C(C)C)cc2C(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is PIBLQFLULZQPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-11(2)16(23)21-13-6-7-15(14(9-13)17(18,19)20)22-8-4-5-12(3)10-22/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,21,23).
What are the key properties of 2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide?
2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 328.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 143229752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).