N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

C9H15F3N2O2 — CID 103795788

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)5-14-8(16)6-2-1-3-13-4-6/h6-7,13,15H,1-5H2,(H,14,16)
InChIKeyWAVBFZWHSLKTBO-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.03
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 103795788) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID103795788
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)5-14-8(16)6-2-1-3-13-4-6/h6-7,13,15H,1-5H2,(H,14,16)
InChIKeyWAVBFZWHSLKTBO-UHFFFAOYSA-N
XLogP0.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (CID 103795788) is N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is O=C(NCC(O)C(F)(F)F)C1CCCNC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is WAVBFZWHSLKTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)5-14-8(16)6-2-1-3-13-4-6/h6-7,13,15H,1-5H2,(H,14,16).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 103795788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).