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

C15H22ClN3O2 — CID 102955990

IUPACN-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccc(Cl)c(N)c2)CC1O
InChIInChI=1S/C15H22ClN3O2/c1-9-5-6-19(8-14(9)20)10(2)15(21)18-11-3-4-12(16)13(17)7-11/h3-4,7,9-10,14,20H,5-6,8,17H2,1-2H3,(H,18,21)
InChIKeyHBEWQGWFYVWOSK-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.95
Rot. Bonds3

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

N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide (PubChem CID 102955990) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
PubChem CID102955990
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccc(Cl)c(N)c2)CC1O
InChIInChI=1S/C15H22ClN3O2/c1-9-5-6-19(8-14(9)20)10(2)15(21)18-11-3-4-12(16)13(17)7-11/h3-4,7,9-10,14,20H,5-6,8,17H2,1-2H3,(H,18,21)
InChIKeyHBEWQGWFYVWOSK-UHFFFAOYSA-N
XLogP1.95
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956094
N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569431
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 103898485
N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide
CID 79669975
N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223805
N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956099
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
2-(3-hydroxy-4-methylpiperidin-1-yl)propanehydrazide
CID 102968624
N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide
CID 82224817
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide (CID 102955990) is N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide is CC1CCN(C(C)C(=O)Nc2ccc(Cl)c(N)c2)CC1O.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The InChIKey is HBEWQGWFYVWOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-9-5-6-19(8-14(9)20)10(2)15(21)18-11-3-4-12(16)13(17)7-11/h3-4,7,9-10,14,20H,5-6,8,17H2,1-2H3,(H,18,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide has a molecular weight of 311.81 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 102955990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).