3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

C13H16ClN3O2 — CID 112575976

IUPAC3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2cccc(N)c2Cl)CCC1=O
InChIInChI=1S/C13H16ClN3O2/c1-17-7-8(5-6-11(17)18)16-13(19)9-3-2-4-10(15)12(9)14/h2-4,8H,5-7,15H2,1H3,(H,16,19)
InChIKeyPDAUFPBIPDBWON-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.27
Rot. Bonds2

About 3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (PubChem CID 112575976) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
PubChem CID112575976
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2cccc(N)c2Cl)CCC1=O
InChIInChI=1S/C13H16ClN3O2/c1-17-7-8(5-6-11(17)18)16-13(19)9-3-2-4-10(15)12(9)14/h2-4,8H,5-7,15H2,1H3,(H,16,19)
InChIKeyPDAUFPBIPDBWON-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 100756034
3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 112579126
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 81232502
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 112575801
2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103765334
3-amino-2-chloro-N-(1,1-dioxothian-4-yl)benzamide
CID 112575046
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
2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 64655940
5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64656087

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (CID 112575976) is 3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is CN1CC(NC(=O)c2cccc(N)c2Cl)CCC1=O.
What is the InChIKey of 3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The InChIKey is PDAUFPBIPDBWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-17-7-8(5-6-11(17)18)16-13(19)9-3-2-4-10(15)12(9)14/h2-4,8H,5-7,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide has a molecular weight of 281.74 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 112575976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).