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

C15H22ClN3O2 — CID 102956440

IUPACN-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCCN(C(C)C(=O)Nc2ccc(Cl)cc2N)C1
InChIInChI=1S/C15H22ClN3O2/c1-10(19-7-3-4-12(9-19)21-2)15(20)18-14-6-5-11(16)8-13(14)17/h5-6,8,10,12H,3-4,7,9,17H2,1-2H3,(H,18,20)
InChIKeyGHHAEBYNCZMIFL-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.36
Rot. Bonds4

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

N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide (PubChem CID 102956440) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
PubChem CID102956440
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCCN(C(C)C(=O)Nc2ccc(Cl)cc2N)C1
InChIInChI=1S/C15H22ClN3O2/c1-10(19-7-3-4-12(9-19)21-2)15(20)18-14-6-5-11(16)8-13(14)17/h5-6,8,10,12H,3-4,7,9,17H2,1-2H3,(H,18,20)
InChIKeyGHHAEBYNCZMIFL-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.36
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-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
CID 103530921
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956460
N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide
CID 166189153
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606
N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
CID 63622745
N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64681530
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide (CID 102956440) is N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide is COC1CCCN(C(C)C(=O)Nc2ccc(Cl)cc2N)C1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide?
The InChIKey is GHHAEBYNCZMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(19-7-3-4-12(9-19)21-2)15(20)18-14-6-5-11(16)8-13(14)17/h5-6,8,10,12H,3-4,7,9,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide?
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide has a molecular weight of 311.81 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 102956440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).