4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide

C17H28N4O2 — CID 120596280

IUPAC4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccccc1NC1CCN(C)CC1
InChIInChI=1S/C17H28N4O2/c1-21-9-7-13(8-10-21)19-15-5-3-4-6-16(15)20-17(22)11-14(12-18)23-2/h3-6,13-14,19H,7-12,18H2,1-2H3,(H,20,22)
InChIKeyQOTLHMHITCQGOK-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.50
Rot. Bonds7

About 4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide

4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide (PubChem CID 120596280) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide
PubChem CID120596280
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccccc1NC1CCN(C)CC1
InChIInChI=1S/C17H28N4O2/c1-21-9-7-13(8-10-21)19-15-5-3-4-6-16(15)20-17(22)11-14(12-18)23-2/h3-6,13-14,19H,7-12,18H2,1-2H3,(H,20,22)
InChIKeyQOTLHMHITCQGOK-UHFFFAOYSA-N
XLogP1.50
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 119871528
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide
CID 120595674
4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 103154438
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride
CID 120503561
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
CID 120597455
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440
methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43139508
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
CID 119871542
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide (CID 120596280) is 4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide is COC(CN)CC(=O)Nc1ccccc1NC1CCN(C)CC1.
What is the InChIKey of 4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide?
The InChIKey is QOTLHMHITCQGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-21-9-7-13(8-10-21)19-15-5-3-4-6-16(15)20-17(22)11-14(12-18)23-2/h3-6,13-14,19H,7-12,18H2,1-2H3,(H,20,22).
What are the key properties of 4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide?
4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide has a molecular weight of 320.44 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide is sourced from PubChem (CID 120596280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).