(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

C15H17F2N3O4 — CID 9304613

IUPAC(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1
InChIInChI=1S/C15H17F2N3O4/c16-15(17)23-11-4-3-10(6-12(11)24-15)19-13(21)8-20-5-1-2-9(7-20)14(18)22/h3-4,6,9H,1-2,5,7-8H2,(H2,18,22)(H,19,21)/t9-/m1/s1
InChIKeyUJDPKWHLXZWFQR-SECBINFHSA-N
MW341.31 g/mol
LogP1.14
Rot. Bonds4

About (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9304613) has the molecular formula C15H17F2N3O4 and a molecular weight of 341.31 g/mol. Its IUPAC name is (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID9304613
Molecular FormulaC15H17F2N3O4
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Name(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1
InChIInChI=1S/C15H17F2N3O4/c16-15(17)23-11-4-3-10(6-12(11)24-15)19-13(21)8-20-5-1-2-9(7-20)14(18)22/h3-4,6,9H,1-2,5,7-8H2,(H2,18,22)(H,19,21)/t9-/m1/s1
InChIKeyUJDPKWHLXZWFQR-SECBINFHSA-N
XLogP1.14
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904442
(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305538
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2577705
(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304559
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305453
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 75461125
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 2453681

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (CID 9304613) is (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1.
What is the InChIKey of (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is UJDPKWHLXZWFQR-SECBINFHSA-N. The full InChI is InChI=1S/C15H17F2N3O4/c16-15(17)23-11-4-3-10(6-12(11)24-15)19-13(21)8-20-5-1-2-9(7-20)14(18)22/h3-4,6,9H,1-2,5,7-8H2,(H2,18,22)(H,19,21)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 341.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9304613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).