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

C16H25N3O2 — CID 16779432

IUPACN-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCC(C)CC2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-12-5-8-19(9-6-12)10-7-16(20)18-15-4-3-13(21-2)11-14(15)17/h3-4,11-12H,5-10,17H2,1-2H3,(H,18,20)
InChIKeyVQJACDFILOYUNM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.34
Rot. Bonds5

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

N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 16779432) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID16779432
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCC(C)CC2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-12-5-8-19(9-6-12)10-7-16(20)18-15-4-3-13(21-2)11-14(15)17/h3-4,11-12H,5-10,17H2,1-2H3,(H,18,20)
InChIKeyVQJACDFILOYUNM-UHFFFAOYSA-N
XLogP2.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.34
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-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62988964
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
CID 28556237
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917017
N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43372578
N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 115964905
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 16779432) is N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide is COc1ccc(NC(=O)CCN2CCC(C)CC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is VQJACDFILOYUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-5-8-19(9-6-12)10-7-16(20)18-15-4-3-13(21-2)11-14(15)17/h3-4,11-12H,5-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.34, 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-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16779432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).