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

C15H22ClN3O2 — CID 43372592

IUPACN-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(C(C)C(=O)Nc2ccc(N)cc2Cl)CC1
InChIInChI=1S/C15H22ClN3O2/c1-10(19-7-5-12(21-2)6-8-19)15(20)18-14-4-3-11(17)9-13(14)16/h3-4,9-10,12H,5-8,17H2,1-2H3,(H,18,20)
InChIKeyCQBZFRUMHNIBKB-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.36
Rot. Bonds4

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

N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide (PubChem CID 43372592) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
PubChem CID43372592
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(C(C)C(=O)Nc2ccc(N)cc2Cl)CC1
InChIInChI=1S/C15H22ClN3O2/c1-10(19-7-5-12(21-2)6-8-19)15(20)18-14-4-3-11(17)9-13(14)16/h3-4,9-10,12H,5-8,17H2,1-2H3,(H,18,20)
InChIKeyCQBZFRUMHNIBKB-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-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 17397855
2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 56810586
N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224757
N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
CID 103530921
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102778011
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956440
N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372637

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide (CID 43372592) is N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide is COC1CCN(C(C)C(=O)Nc2ccc(N)cc2Cl)CC1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide?
The InChIKey is CQBZFRUMHNIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(19-7-5-12(21-2)6-8-19)15(20)18-14-4-3-11(17)9-13(14)16/h3-4,9-10,12H,5-8,17H2,1-2H3,(H,18,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide?
N-(4-amino-2-chlorophenyl)-2-(4-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-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 43372592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).