(2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide

C12H19F3N2O — CID 95152663

IUPAC(2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O/c1-3-6-16-11(18)9(2)17-7-4-5-10(8-17)12(13,14)15/h3,9-10H,1,4-8H2,2H3,(H,16,18)/t9-,10+/m1/s1
InChIKeyKTCCYOSYSJRLRN-ZJUUUORDSA-N
MW264.29 g/mol
LogP1.95
Rot. Bonds4

About (2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide

(2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 95152663) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is (2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID95152663
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name(2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O/c1-3-6-16-11(18)9(2)17-7-4-5-10(8-17)12(13,14)15/h3,9-10H,1,4-8H2,2H3,(H,16,18)/t9-,10+/m1/s1
InChIKeyKTCCYOSYSJRLRN-ZJUUUORDSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 95152663) is (2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide is C=CCNC(=O)[C@@H](C)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is KTCCYOSYSJRLRN-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-3-6-16-11(18)9(2)17-7-4-5-10(8-17)12(13,14)15/h3,9-10H,1,4-8H2,2H3,(H,16,18)/t9-,10+/m1/s1.
What are the key properties of (2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
(2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 264.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95152663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).