1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride

C16H28ClF3N4O2 — CID 120812924

IUPAC1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(=O)N1CCCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1.Cl
InChIInChI=1S/C16H27F3N4O2.ClH/c1-2-14(24)23-7-3-4-12(11-23)15(25)21-10-13(16(17,18)19)22-8-5-20-6-9-22;/h12-13,20H,2-11H2,1H3,(H,21,25);1H
InChIKeyWYDCOBPWOIHZFU-UHFFFAOYSA-N
MW400.87 g/mol
LogP1.01
Rot. Bonds5

About 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride

1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120812924) has the molecular formula C16H28ClF3N4O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
PubChem CID120812924
Molecular FormulaC16H28ClF3N4O2
Molecular Weight400.87 g/mol
Exact Mass400.19
IUPAC Name1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(=O)N1CCCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1.Cl
InChIInChI=1S/C16H27F3N4O2.ClH/c1-2-14(24)23-7-3-4-12(11-23)15(25)21-10-13(16(17,18)19)22-8-5-20-6-9-22;/h12-13,20H,2-11H2,1H3,(H,21,25);1H
InChIKeyWYDCOBPWOIHZFU-UHFFFAOYSA-N
XLogP1.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
CID 120812289
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 120831196
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812498
1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 120813021
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide
CID 120811457
(2R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-2-(propanoylamino)propanoic acid
CID 58942672
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide
CID 120810657
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812812
2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813092

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride (CID 120812924) is 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride is CCC(=O)N1CCCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1.Cl.
What is the InChIKey of 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is WYDCOBPWOIHZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N4O2.ClH/c1-2-14(24)23-7-3-4-12(11-23)15(25)21-10-13(16(17,18)19)22-8-5-20-6-9-22;/h12-13,20H,2-11H2,1H3,(H,21,25);1H.
What are the key properties of 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride?
1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 400.87 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120812924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).