N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C15H20F3N3O — CID 113103275

IUPACN-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3N3O/c1-2-7-19-14(22)21-10-8-20(9-11-21)13-5-3-12(4-6-13)15(16,17)18/h3-6H,2,7-11H2,1H3,(H,19,22)
InChIKeyRVJZYJSRPARNGI-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.95
Rot. Bonds3

About N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 113103275) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID113103275
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3N3O/c1-2-7-19-14(22)21-10-8-20(9-11-21)13-5-3-12(4-6-13)15(16,17)18/h3-6H,2,7-11H2,1H3,(H,19,22)
InChIKeyRVJZYJSRPARNGI-UHFFFAOYSA-N
XLogP2.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 27537143
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113107500
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 162370226
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 113103275) is N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CCCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is RVJZYJSRPARNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-2-7-19-14(22)21-10-8-20(9-11-21)13-5-3-12(4-6-13)15(16,17)18/h3-6H,2,7-11H2,1H3,(H,19,22).
What are the key properties of N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113103275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).