3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide

C13H15Cl2N3O2 — CID 100756034

IUPAC3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
SMILESCN1C[C@@H](NC(=O)c2ccc(Cl)c(N)c2Cl)CCC1=O
InChIInChI=1S/C13H15Cl2N3O2/c1-18-6-7(2-5-10(18)19)17-13(20)8-3-4-9(14)12(16)11(8)15/h3-4,7H,2,5-6,16H2,1H3,(H,17,20)/t7-/m0/s1
InChIKeyCKOFIXLNPJWADE-ZETCQYMHSA-N
MW316.19 g/mol
LogP1.93
Rot. Bonds2

About 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide

3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide (PubChem CID 100756034) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
PubChem CID100756034
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
SMILESCN1C[C@@H](NC(=O)c2ccc(Cl)c(N)c2Cl)CCC1=O
InChIInChI=1S/C13H15Cl2N3O2/c1-18-6-7(2-5-10(18)19)17-13(20)8-3-4-9(14)12(16)11(8)15/h3-4,7H,2,5-6,16H2,1H3,(H,17,20)/t7-/m0/s1
InChIKeyCKOFIXLNPJWADE-ZETCQYMHSA-N
XLogP1.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide 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

3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 112575976
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 81232502
2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103765334
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 96505596
5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670012
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide
CID 106854038
6-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridazine-3-carboxamide
CID 64669604
5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64656087
5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64667455
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
The IUPAC name of 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide (CID 100756034) is 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide is CN1C[C@@H](NC(=O)c2ccc(Cl)c(N)c2Cl)CCC1=O.
What is the InChIKey of 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
The InChIKey is CKOFIXLNPJWADE-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-18-6-7(2-5-10(18)19)17-13(20)8-3-4-9(14)12(16)11(8)15/h3-4,7H,2,5-6,16H2,1H3,(H,17,20)/t7-/m0/s1.
What are the key properties of 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide has a molecular weight of 316.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 100756034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).