2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride

C20H24ClN3O2 — CID 119749209

IUPAC2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1
InChIInChI=1S/C20H23N3O2.ClH/c21-17-8-4-15(5-9-17)13-19(24)22-14-16-6-10-18(11-7-16)23-12-2-1-3-20(23)25;/h4-11H,1-3,12-14,21H2,(H,22,24);1H
InChIKeyQABIYRQBAVRCDK-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.07
Rot. Bonds5

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

2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119749209) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
PubChem CID119749209
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1
InChIInChI=1S/C20H23N3O2.ClH/c21-17-8-4-15(5-9-17)13-19(24)22-14-16-6-10-18(11-7-16)23-12-2-1-3-20(23)25;/h4-11H,1-3,12-14,21H2,(H,22,24);1H
InChIKeyQABIYRQBAVRCDK-UHFFFAOYSA-N
XLogP3.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.07
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

N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8948642
2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749231
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
1-(4-aminophenyl)piperidin-2-one
CID 11458178
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2-(1-hydroxycyclopentyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide
CID 111537212
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
1-(4-aminophenyl)azepan-2-one
CID 58962781

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride (CID 119749209) is 2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride is Cl.Nc1ccc(CC(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is QABIYRQBAVRCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c21-17-8-4-15(5-9-17)13-19(24)22-14-16-6-10-18(11-7-16)23-12-2-1-3-20(23)25;/h4-11H,1-3,12-14,21H2,(H,22,24);1H.
What are the key properties of 2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119749209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).