N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride

C18H27ClF3N3O — CID 119392989

IUPACN-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCCCN1CCNCC1)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C18H26F3N3O.ClH/c1-14(15-3-5-16(6-4-15)18(19,20)21)13-17(25)23-7-2-10-24-11-8-22-9-12-24;/h3-6,14,22H,2,7-13H2,1H3,(H,23,25);1H
InChIKeyGQNPGOWAJJPBFQ-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.03
Rot. Bonds7

About N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride

N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 119392989) has the molecular formula C18H27ClF3N3O and a molecular weight of 393.88 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID119392989
Molecular FormulaC18H27ClF3N3O
Molecular Weight393.88 g/mol
Exact Mass393.18
IUPAC NameN-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCCCN1CCNCC1)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C18H26F3N3O.ClH/c1-14(15-3-5-16(6-4-15)18(19,20)21)13-17(25)23-7-2-10-24-11-8-22-9-12-24;/h3-6,14,22H,2,7-13H2,1H3,(H,23,25);1H
InChIKeyGQNPGOWAJJPBFQ-UHFFFAOYSA-N
XLogP3.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 94676198
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 51125754
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
CID 119393526
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120887469
3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
CID 119394066
tert-butyl N-[2-[3-[4-(trifluoromethyl)phenyl]butanoylamino]ethyl]carbamate
CID 71685048
2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391638
3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392623

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 119392989) is N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride is CC(CC(=O)NCCCN1CCNCC1)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is GQNPGOWAJJPBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O.ClH/c1-14(15-3-5-16(6-4-15)18(19,20)21)13-17(25)23-7-2-10-24-11-8-22-9-12-24;/h3-6,14,22H,2,7-13H2,1H3,(H,23,25);1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119392989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).