4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide

C9H16F3N3O2 — CID 103778625

IUPAC4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)7(16)5-14-6-1-3-15(4-2-6)8(13)17/h6-7,14,16H,1-5H2,(H2,13,17)
InChIKeyZGEPTIJMOGXAJN-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.04
Rot. Bonds3

About 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide

4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide (PubChem CID 103778625) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
PubChem CID103778625
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)7(16)5-14-6-1-3-15(4-2-6)8(13)17/h6-7,14,16H,1-5H2,(H2,13,17)
InChIKeyZGEPTIJMOGXAJN-UHFFFAOYSA-N
XLogP0.04
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
The IUPAC name of 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide (CID 103778625) is 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide is NC(=O)N1CCC(NCC(O)C(F)(F)F)CC1.
What is the InChIKey of 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
The InChIKey is ZGEPTIJMOGXAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c10-9(11,12)7(16)5-14-6-1-3-15(4-2-6)8(13)17/h6-7,14,16H,1-5H2,(H2,13,17).
What are the key properties of 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 103778625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).