1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide

C10H18F3N3O — CID 58319335

IUPAC1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
SMILESCN1CCC(NCCC(F)(F)F)(C(N)=O)CC1
InChIInChI=1S/C10H18F3N3O/c1-16-6-3-9(4-7-16,8(14)17)15-5-2-10(11,12)13/h15H,2-7H2,1H3,(H2,14,17)
InChIKeyPELFJEYQFYJBMX-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.48
Rot. Bonds4

About 1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide

1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide (PubChem CID 58319335) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
PubChem CID58319335
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
SMILESCN1CCC(NCCC(F)(F)F)(C(N)=O)CC1
InChIInChI=1S/C10H18F3N3O/c1-16-6-3-9(4-7-16,8(14)17)15-5-2-10(11,12)13/h15H,2-7H2,1H3,(H2,14,17)
InChIKeyPELFJEYQFYJBMX-UHFFFAOYSA-N
XLogP0.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Methylamino)piperidine-4-carboxamide
CID 96474
[1,4'-Bipiperidine]-4'-carboxamide
CID 96486
4-(Isopropylamino)piperidine-4-carboxamide
CID 96716
4-(Ethylamino)piperidine-4-carboxamide
CID 96573
4-(Dimethylamino)piperidine-4-carboxamide dihydrochloride
CID 3024860
[1,4'-Bipiperidine]-4'-carboxamide monohydrochloride
CID 44146516
4-(Methylamino)piperidine-4-carboxamide dihydrochloride
CID 137971664
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
CID 29439803
2-(4-(1,1-difluoroethyl)piperidin-1-yl)-N-methylacetamide
CID 92130809
2-(4,4-Difluoro-3-methylpiperidin-1-yl)butanamide
CID 126788301
4-Dimethylamino-piperidine-4-carboxylic acid amide
CID 417355
4-(Propylamino)piperidine-4-carboxamide
CID 3024604

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide (CID 58319335) is 1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide is CN1CCC(NCCC(F)(F)F)(C(N)=O)CC1.
What is the InChIKey of 1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
The InChIKey is PELFJEYQFYJBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-16-6-3-9(4-7-16,8(14)17)15-5-2-10(11,12)13/h15H,2-7H2,1H3,(H2,14,17).
What are the key properties of 1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide is sourced from PubChem (CID 58319335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).