N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride

C19H28ClF3N2O — CID 119825007

IUPACN-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCCCN(C(=O)CC(C)c1ccc(C(F)(F)F)cc1)C1CCNCC1.Cl
InChIInChI=1S/C19H27F3N2O.ClH/c1-3-12-24(17-8-10-23-11-9-17)18(25)13-14(2)15-4-6-16(7-5-15)19(20,21)22;/h4-7,14,17,23H,3,8-13H2,1-2H3;1H
InChIKeyBSRAEFDAJJYADK-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.61
Rot. Bonds6

About N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride

N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 119825007) has the molecular formula C19H28ClF3N2O and a molecular weight of 392.89 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID119825007
Molecular FormulaC19H28ClF3N2O
Molecular Weight392.89 g/mol
Exact Mass392.18
IUPAC NameN-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCCCN(C(=O)CC(C)c1ccc(C(F)(F)F)cc1)C1CCNCC1.Cl
InChIInChI=1S/C19H27F3N2O.ClH/c1-3-12-24(17-8-10-23-11-9-17)18(25)13-14(2)15-4-6-16(7-5-15)19(20,21)22;/h4-7,14,17,23H,3,8-13H2,1-2H3;1H
InChIKeyBSRAEFDAJJYADK-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119823787
N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119532019
3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
3-ethyl-N-piperidin-4-yl-N-propylpentanamide;hydrochloride
CID 119824289
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825433
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434
N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119550376
N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 119823659
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 119825007) is N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride is CCCN(C(=O)CC(C)c1ccc(C(F)(F)F)cc1)C1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is BSRAEFDAJJYADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O.ClH/c1-3-12-24(17-8-10-23-11-9-17)18(25)13-14(2)15-4-6-16(7-5-15)19(20,21)22;/h4-7,14,17,23H,3,8-13H2,1-2H3;1H.
What are the key properties of N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119825007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).