N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C16H26F3N3O2 — CID 112502367

IUPACN-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCCCC1
InChIInChI=1S/C16H26F3N3O2/c1-12(21-7-3-2-4-8-21)11-20-14(23)13-5-9-22(10-6-13)15(24)16(17,18)19/h12-13H,2-11H2,1H3,(H,20,23)
InChIKeyVHDOLHNNZJETSC-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.78
Rot. Bonds4

About N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 112502367) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID112502367
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC NameN-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCCCC1
InChIInChI=1S/C16H26F3N3O2/c1-12(21-7-3-2-4-8-21)11-20-14(23)13-5-9-22(10-6-13)15(24)16(17,18)19/h12-13H,2-11H2,1H3,(H,20,23)
InChIKeyVHDOLHNNZJETSC-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
CID 6467229
1-Methyl-4-(piperidine-4-carbonyl)piperazine
CID 2760037
1-acetyl-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 6464517
1-butanoyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501182
1-(cyclopropanecarbonyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501644
1-(2,2-dimethylpropanoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501765
1-acetyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501889
1-acetyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501895
4-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 53506473
1-[2-(1-Piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one
CID 56717967
Piperazin-1-yl(piperidin-4-yl)methanone
CID 22721869
1-(4-(Piperidine-4-carbonyl)piperazin-1-yl)ethanone
CID 24696731

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 112502367) is N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CC(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is VHDOLHNNZJETSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-12(21-7-3-2-4-8-21)11-20-14(23)13-5-9-22(10-6-13)15(24)16(17,18)19/h12-13H,2-11H2,1H3,(H,20,23).
What are the key properties of N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 112502367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).