N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide

C14H20ClN3O2 — CID 102956361

IUPACN-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
SMILESCOC1CCCN(CC(=O)Nc2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C14H20ClN3O2/c1-20-11-3-2-6-18(8-11)9-14(19)17-10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H,17,19)
InChIKeyJWNMNMQWVGUTEV-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.97
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide

N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide (PubChem CID 102956361) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
PubChem CID102956361
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
SMILESCOC1CCCN(CC(=O)Nc2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C14H20ClN3O2/c1-20-11-3-2-6-18(8-11)9-14(19)17-10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H,17,19)
InChIKeyJWNMNMQWVGUTEV-UHFFFAOYSA-N
XLogP1.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956460
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(3-amino-4-chlorophenyl)acetamide
CID 79928265
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956413
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185
N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide
CID 28786787
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide
CID 43575264
1-[2-(3-amino-4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026204
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide (CID 102956361) is N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide is COC1CCCN(CC(=O)Nc2ccc(Cl)c(N)c2)C1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide?
The InChIKey is JWNMNMQWVGUTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-20-11-3-2-6-18(8-11)9-14(19)17-10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H,17,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide?
N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide has a molecular weight of 297.79 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide is sourced from PubChem (CID 102956361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).