(2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide

C13H25F2N3O — CID 154946034

IUPAC(2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide
SMILESCNC(=O)[C@H](CCF)N(CCF)C1CCN(C)CC1
InChIInChI=1S/C13H25F2N3O/c1-16-13(19)12(3-6-14)18(10-7-15)11-4-8-17(2)9-5-11/h11-12H,3-10H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyPFCYJOSBIOAQFC-LBPRGKRZSA-N
MW277.36 g/mol
LogP0.83
Rot. Bonds7

About (2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide

(2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide (PubChem CID 154946034) has the molecular formula C13H25F2N3O and a molecular weight of 277.36 g/mol. Its IUPAC name is (2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide
PubChem CID154946034
Molecular FormulaC13H25F2N3O
Molecular Weight277.36 g/mol
Exact Mass277.20
IUPAC Name(2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide
SMILESCNC(=O)[C@H](CCF)N(CCF)C1CCN(C)CC1
InChIInChI=1S/C13H25F2N3O/c1-16-13(19)12(3-6-14)18(10-7-15)11-4-8-17(2)9-5-11/h11-12H,3-10H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyPFCYJOSBIOAQFC-LBPRGKRZSA-N
XLogP0.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide?
The IUPAC name of (2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide (CID 154946034) is (2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide.
What is the SMILES notation for (2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide?
The canonical SMILES for (2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide is CNC(=O)[C@H](CCF)N(CCF)C1CCN(C)CC1.
What is the InChIKey of (2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide?
The InChIKey is PFCYJOSBIOAQFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25F2N3O/c1-16-13(19)12(3-6-14)18(10-7-15)11-4-8-17(2)9-5-11/h11-12H,3-10H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide?
(2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide has a molecular weight of 277.36 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-2-[2-fluoroethyl-(1-methylpiperidin-4-yl)amino]-N-methylbutanamide is sourced from PubChem (CID 154946034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).