1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

C16H21F2N3O3 — CID 9443697

IUPAC1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESC[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC(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)/t10-/m1/s1
InChIKeyJNHMQPLTHJOVIY-SNVBAGLBSA-N
MW341.36 g/mol
LogP1.81
Rot. Bonds6

About 1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 9443697) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID9443697
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESC[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC(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)/t10-/m1/s1
InChIKeyJNHMQPLTHJOVIY-SNVBAGLBSA-N
XLogP1.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443694
1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 9443539
4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969612
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 46596245
methyl 1-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 41075173
N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880153
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 55430826
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 120772820
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 9443697) is 1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide is C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is JNHMQPLTHJOVIY-SNVBAGLBSA-N. 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)/t10-/m1/s1.
What are the key properties of 1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 9443697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).