4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide

C15H31N3O2 — CID 120595508

IUPAC4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
SMILESCOC(CN)CC(=O)NCCCCN1CCCC(C)C1
InChIInChI=1S/C15H31N3O2/c1-13-6-5-9-18(12-13)8-4-3-7-17-15(19)10-14(11-16)20-2/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyWFRRIQYJMNUQPG-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.98
Rot. Bonds9

About 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide

4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide (PubChem CID 120595508) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
PubChem CID120595508
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
SMILESCOC(CN)CC(=O)NCCCCN1CCCC(C)C1
InChIInChI=1S/C15H31N3O2/c1-13-6-5-9-18(12-13)8-4-3-7-17-15(19)10-14(11-16)20-2/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyWFRRIQYJMNUQPG-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide 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

4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120595227
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119852698
(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide
CID 119852727
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
CID 86889175
2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 95351505
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
CID 86961985
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide (CID 120595508) is 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide is COC(CN)CC(=O)NCCCCN1CCCC(C)C1.
What is the InChIKey of 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide?
The InChIKey is WFRRIQYJMNUQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13-6-5-9-18(12-13)8-4-3-7-17-15(19)10-14(11-16)20-2/h13-14H,3-12,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide?
4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide has a molecular weight of 285.43 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide is sourced from PubChem (CID 120595508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).