2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride

C22H31Cl2N3O — CID 119845308

IUPAC2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-17-6-4-5-13-25(17)16-20-8-3-2-7-19(20)15-24-22(26)14-18-9-11-21(23)12-10-18;;/h2-3,7-12,17H,4-6,13-16,23H2,1H3,(H,24,26);2*1H
InChIKeyVYEPHGZADYCORI-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride (PubChem CID 119845308) has the molecular formula C22H31Cl2N3O and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
PubChem CID119845308
Molecular FormulaC22H31Cl2N3O
Molecular Weight424.42 g/mol
Exact Mass423.18
IUPAC Name2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-17-6-4-5-13-25(17)16-20-8-3-2-7-19(20)15-24-22(26)14-18-9-11-21(23)12-10-18;;/h2-3,7-12,17H,4-6,13-16,23H2,1H3,(H,24,26);2*1H
InChIKeyVYEPHGZADYCORI-UHFFFAOYSA-N
XLogP4.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845340
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826534
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 86990869
1-(2,2-dimethylpropanoyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46470618
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 60584154

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride (CID 119845308) is 2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride is CC1CCCCN1Cc1ccccc1CNC(=O)Cc1ccc(N)cc1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride?
The InChIKey is VYEPHGZADYCORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.2ClH/c1-17-6-4-5-13-25(17)16-20-8-3-2-7-19(20)15-24-22(26)14-18-9-11-21(23)12-10-18;;/h2-3,7-12,17H,4-6,13-16,23H2,1H3,(H,24,26);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride has a molecular weight of 424.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119845308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).