4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C11H20F3N3O — CID 113462923

IUPAC4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCCCNC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-2-5-15-9-3-6-17(7-4-9)10(18)16-8-11(12,13)14/h9,15H,2-8H2,1H3,(H,16,18)
InChIKeyWNEDHKNZJCITIA-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.72
Rot. Bonds4

About 4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 113462923) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID113462923
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCCCNC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-2-5-15-9-3-6-17(7-4-9)10(18)16-8-11(12,13)14/h9,15H,2-8H2,1H3,(H,16,18)
InChIKeyWNEDHKNZJCITIA-UHFFFAOYSA-N
XLogP1.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 113462923) is 4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CCCNC1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is WNEDHKNZJCITIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-2-5-15-9-3-6-17(7-4-9)10(18)16-8-11(12,13)14/h9,15H,2-8H2,1H3,(H,16,18).
What are the key properties of 4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 113462923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).