2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide

C20H26N4O — CID 119871528

IUPAC2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
SMILESCN1CCC(Nc2ccccc2NC(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C20H26N4O/c1-24-12-10-17(11-13-24)22-18-4-2-3-5-19(18)23-20(25)14-15-6-8-16(21)9-7-15/h2-9,17,22H,10-14,21H2,1H3,(H,23,25)
InChIKeyOMESUBDJZXIONF-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide

2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide (PubChem CID 119871528) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
PubChem CID119871528
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
SMILESCN1CCC(Nc2ccccc2NC(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C20H26N4O/c1-24-12-10-17(11-13-24)22-18-4-2-3-5-19(18)23-20(25)14-15-6-8-16(21)9-7-15/h2-9,17,22H,10-14,21H2,1H3,(H,23,25)
InChIKeyOMESUBDJZXIONF-UHFFFAOYSA-N
XLogP2.96
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 54795789
4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide
CID 120596280
N-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43692186
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride
CID 120503561
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 119869989
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
CID 119871542
2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54795746
trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 95325918
3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 54795309

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide (CID 119871528) is 2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide is CN1CCC(Nc2ccccc2NC(=O)Cc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide?
The InChIKey is OMESUBDJZXIONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-24-12-10-17(11-13-24)22-18-4-2-3-5-19(18)23-20(25)14-15-6-8-16(21)9-7-15/h2-9,17,22H,10-14,21H2,1H3,(H,23,25).
What are the key properties of 2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide?
2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide has a molecular weight of 338.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 119871528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).