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

C9H16F3N3O — CID 66697754

IUPAC4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
SMILESNC(=O)C1(NCCC(F)(F)F)CCNCC1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)3-6-15-8(7(13)16)1-4-14-5-2-8/h14-15H,1-6H2,(H2,13,16)
InChIKeyURJRPHHIYZUEOS-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.14
Rot. Bonds4

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

4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide (PubChem CID 66697754) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
PubChem CID66697754
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
SMILESNC(=O)C1(NCCC(F)(F)F)CCNCC1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)3-6-15-8(7(13)16)1-4-14-5-2-8/h14-15H,1-6H2,(H2,13,16)
InChIKeyURJRPHHIYZUEOS-UHFFFAOYSA-N
XLogP0.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.14
H-Bond Donors ≤ 53
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-(Cyclohexylamino)piperidine-4-carboxamide
CID 96736
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
4-Dimethylamino-piperidine-4-carboxylic acid amide
CID 417355
4-(Propylamino)piperidine-4-carboxamide
CID 3024604
4-Aminopiperidine-4-carboxamide
CID 21905807

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
The IUPAC name of 4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide (CID 66697754) is 4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide.
What is the SMILES notation for 4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
The canonical SMILES for 4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide is NC(=O)C1(NCCC(F)(F)F)CCNCC1.
What is the InChIKey of 4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
The InChIKey is URJRPHHIYZUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c10-9(11,12)3-6-15-8(7(13)16)1-4-14-5-2-8/h14-15H,1-6H2,(H2,13,16).
What are the key properties of 4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide is sourced from PubChem (CID 66697754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).