2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride

C18H31Cl2N3O — CID 119885427

IUPAC2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCCCCCN2CCCCC2)cc1
InChIInChI=1S/C18H29N3O.2ClH/c19-17-9-7-16(8-10-17)15-18(22)20-11-3-1-4-12-21-13-5-2-6-14-21;;/h7-10H,1-6,11-15,19H2,(H,20,22);2*1H
InChIKeyXXJIRJTXQMTEIM-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.43
Rot. Bonds8

About 2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride

2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride (PubChem CID 119885427) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
PubChem CID119885427
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCCCCCN2CCCCC2)cc1
InChIInChI=1S/C18H29N3O.2ClH/c19-17-9-7-16(8-10-17)15-18(22)20-11-3-1-4-12-21-13-5-2-6-14-21;;/h7-10H,1-6,11-15,19H2,(H,20,22);2*1H
InChIKeyXXJIRJTXQMTEIM-UHFFFAOYSA-N
XLogP3.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 62500018
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 62817039
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
methyl 7-[[2-(4-aminophenyl)acetyl]amino]heptanoate;hydrochloride
CID 119701299
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
CID 166390762
2-(4-aminophenyl)-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]acetamide;dihydrochloride
CID 119871130

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride (CID 119885427) is 2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)NCCCCCN2CCCCC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride?
The InChIKey is XXJIRJTXQMTEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c19-17-9-7-16(8-10-17)15-18(22)20-11-3-1-4-12-21-13-5-2-6-14-21;;/h7-10H,1-6,11-15,19H2,(H,20,22);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride?
2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride is sourced from PubChem (CID 119885427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).