(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide

C14H18IN3O2 — CID 9305538

IUPAC(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(I)cc2)C1
InChIInChI=1S/C14H18IN3O2/c15-11-3-5-12(6-4-11)17-13(19)9-18-7-1-2-10(8-18)14(16)20/h3-6,10H,1-2,7-9H2,(H2,16,20)(H,17,19)/t10-/m0/s1
InChIKeyRYTZRCSHVGPJQR-JTQLQIEISA-N
MW387.22 g/mol
LogP1.43
Rot. Bonds4

About (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide

(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9305538) has the molecular formula C14H18IN3O2 and a molecular weight of 387.22 g/mol. Its IUPAC name is (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID9305538
Molecular FormulaC14H18IN3O2
Molecular Weight387.22 g/mol
Exact Mass387.04
IUPAC Name(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(I)cc2)C1
InChIInChI=1S/C14H18IN3O2/c15-11-3-5-12(6-4-11)17-13(19)9-18-7-1-2-10(8-18)14(16)20/h3-6,10H,1-2,7-9H2,(H2,16,20)(H,17,19)/t10-/m0/s1
InChIKeyRYTZRCSHVGPJQR-JTQLQIEISA-N
XLogP1.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026144
(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304559
(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304613
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584521

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 9305538) is (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(I)cc2)C1.
What is the InChIKey of (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is RYTZRCSHVGPJQR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18IN3O2/c15-11-3-5-12(6-4-11)17-13(19)9-18-7-1-2-10(8-18)14(16)20/h3-6,10H,1-2,7-9H2,(H2,16,20)(H,17,19)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide?
(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 387.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9305538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).