2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide

C16H25N3O2 — CID 107163921

IUPAC2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(C)CCN(C)CC2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-16(6-8-19(2)9-7-16)11-18-15(20)13-5-4-12(21-3)10-14(13)17/h4-5,10H,6-9,11,17H2,1-3H3,(H,18,20)
InChIKeyPQLOHODKMBNXOV-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.74
Rot. Bonds4

About 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide

2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide (PubChem CID 107163921) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide
PubChem CID107163921
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(C)CCN(C)CC2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-16(6-8-19(2)9-7-16)11-18-15(20)13-5-4-12(21-3)10-14(13)17/h4-5,10H,6-9,11,17H2,1-3H3,(H,18,20)
InChIKeyPQLOHODKMBNXOV-UHFFFAOYSA-N
XLogP1.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162906
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162857
5-amino-2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162859
5-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 107162875
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450797
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162855
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide
CID 107162850
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide (CID 107163921) is 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2(C)CCN(C)CC2)c(N)c1.
What is the InChIKey of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide?
The InChIKey is PQLOHODKMBNXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(6-8-19(2)9-7-16)11-18-15(20)13-5-4-12(21-3)10-14(13)17/h4-5,10H,6-9,11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide?
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide has a molecular weight of 291.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 107163921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).