3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride

C8H14ClF3N2O — CID 119033621

IUPAC3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride
SMILESCl.O=C(CC(F)(F)F)N[C@H]1CCCNC1
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)4-7(14)13-6-2-1-3-12-5-6;/h6,12H,1-5H2,(H,13,14);1H/t6-;/m0./s1
InChIKeyQZVYGBKBPBJAJO-RGMNGODLSA-N
MW246.66 g/mol
LogP1.23
Rot. Bonds2

About 3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride

3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride (PubChem CID 119033621) has the molecular formula C8H14ClF3N2O and a molecular weight of 246.66 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride
PubChem CID119033621
Molecular FormulaC8H14ClF3N2O
Molecular Weight246.66 g/mol
Exact Mass246.07
IUPAC Name3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride
SMILESCl.O=C(CC(F)(F)F)N[C@H]1CCCNC1
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)4-7(14)13-6-2-1-3-12-5-6;/h6,12H,1-5H2,(H,13,14);1H/t6-;/m0./s1
InChIKeyQZVYGBKBPBJAJO-RGMNGODLSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride (CID 119033621) is 3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride is Cl.O=C(CC(F)(F)F)N[C@H]1CCCNC1.
What is the InChIKey of 3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride?
The InChIKey is QZVYGBKBPBJAJO-RGMNGODLSA-N. The full InChI is InChI=1S/C8H13F3N2O.ClH/c9-8(10,11)4-7(14)13-6-2-1-3-12-5-6;/h6,12H,1-5H2,(H,13,14);1H/t6-;/m0./s1.
What are the key properties of 3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride?
3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride has a molecular weight of 246.66 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 119033621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).