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

C15H22ClN3O2 — CID 43372578

IUPACN-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(CCC(=O)Nc2ccc(Cl)cc2N)CC1
InChIInChI=1S/C15H22ClN3O2/c1-21-12-4-7-19(8-5-12)9-6-15(20)18-14-3-2-11(16)10-13(14)17/h2-3,10,12H,4-9,17H2,1H3,(H,18,20)
InChIKeyGMTBQBAWGAYVEO-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.36
Rot. Bonds5

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

N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide (PubChem CID 43372578) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
PubChem CID43372578
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(CCC(=O)Nc2ccc(Cl)cc2N)CC1
InChIInChI=1S/C15H22ClN3O2/c1-21-12-4-7-19(8-5-12)9-6-15(20)18-14-3-2-11(16)10-13(14)17/h2-3,10,12H,4-9,17H2,1H3,(H,18,20)
InChIKeyGMTBQBAWGAYVEO-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956460
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432
N-(2-amino-4-chlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779484
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047
N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124752804
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(2-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490811
N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide
CID 81195028
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
CID 24589415
1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one
CID 62628820

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide (CID 43372578) is N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide is COC1CCN(CCC(=O)Nc2ccc(Cl)cc2N)CC1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
The InChIKey is GMTBQBAWGAYVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-21-12-4-7-19(8-5-12)9-6-15(20)18-14-3-2-11(16)10-13(14)17/h2-3,10,12H,4-9,17H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide has a molecular weight of 311.81 g/mol, XLogP of 2.36, 5 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)-3-(4-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 43372578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).