1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide

C16H22F2N3O3+ — CID 9443694

IUPAC1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
SMILESC[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C16H21F2N3O3/c1-10(21-8-6-11(7-9-21)14(19)22)15(23)20-12-4-2-3-5-13(12)24-16(17)18/h2-5,10-11,16H,6-9H2,1H3,(H2,19,22)(H,20,23)/p+1/t10-/m0/s1
InChIKeyJNHMQPLTHJOVIY-JTQLQIEISA-O
MW342.37 g/mol
LogP0.40
Rot. Bonds6

About 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide

1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide (PubChem CID 9443694) has the molecular formula C16H22F2N3O3+ and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
PubChem CID9443694
Molecular FormulaC16H22F2N3O3+
Molecular Weight342.37 g/mol
Exact Mass342.16
IUPAC Name1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
SMILESC[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C16H21F2N3O3/c1-10(21-8-6-11(7-9-21)14(19)22)15(23)20-12-4-2-3-5-13(12)24-16(17)18/h2-5,10-11,16H,6-9H2,1H3,(H2,19,22)(H,20,23)/p+1/t10-/m0/s1
InChIKeyJNHMQPLTHJOVIY-JTQLQIEISA-O
XLogP0.40
TPSA85.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443697
1-[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443708
1-[(2S)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443644
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916
1-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443498
4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 8946649
2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 116674736
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947
4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969612

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide (CID 9443694) is 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide is C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide?
The InChIKey is JNHMQPLTHJOVIY-JTQLQIEISA-O. The full InChI is InChI=1S/C16H21F2N3O3/c1-10(21-8-6-11(7-9-21)14(19)22)15(23)20-12-4-2-3-5-13(12)24-16(17)18/h2-5,10-11,16H,6-9H2,1H3,(H2,19,22)(H,20,23)/p+1/t10-/m0/s1.
What are the key properties of 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide?
1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9443694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).