N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H30ClF3N2O — CID 119771431

IUPACN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1)C1CCNCC1.Cl
InChIInChI=1S/C20H29F3N2O.ClH/c1-14(15-7-9-24-10-8-15)11-18(26)25-13-19(2,3)16-5-4-6-17(12-16)20(21,22)23;/h4-6,12,14-15,24H,7-11,13H2,1-3H3,(H,25,26);1H
InChIKeyUHYZISCFLUATJB-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.55
Rot. Bonds6

About N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119771431) has the molecular formula C20H30ClF3N2O and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119771431
Molecular FormulaC20H30ClF3N2O
Molecular Weight406.92 g/mol
Exact Mass406.20
IUPAC NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1)C1CCNCC1.Cl
InChIInChI=1S/C20H29F3N2O.ClH/c1-14(15-7-9-24-10-8-15)11-18(26)25-13-19(2,3)16-5-4-6-17(12-16)20(21,22)23;/h4-6,12,14-15,24H,7-11,13H2,1-3H3,(H,25,26);1H
InChIKeyUHYZISCFLUATJB-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide
CID 119757009
N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119756896
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119758283
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 119726417
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119707018
N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795645
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485
2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 119771425
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119737426

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119771431) is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1)C1CCNCC1.Cl.
What is the InChIKey of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is UHYZISCFLUATJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O.ClH/c1-14(15-7-9-24-10-8-15)11-18(26)25-13-19(2,3)16-5-4-6-17(12-16)20(21,22)23;/h4-6,12,14-15,24H,7-11,13H2,1-3H3,(H,25,26);1H.
What are the key properties of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 406.92 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119771431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).