2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide

C17H27N3O — CID 119885020

IUPAC2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide
SMILESCCN1CCC(CCNC(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-20-11-8-14(9-12-20)7-10-19-17(21)13-15-3-5-16(18)6-4-15/h3-6,14H,2,7-13,18H2,1H3,(H,19,21)
InChIKeyHDFXDYCONIIRBZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.05
Rot. Bonds6

About 2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide

2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide (PubChem CID 119885020) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide
PubChem CID119885020
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide
SMILESCCN1CCC(CCNC(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-20-11-8-14(9-12-20)7-10-19-17(21)13-15-3-5-16(18)6-4-15/h3-6,14H,2,7-13,18H2,1H3,(H,19,21)
InChIKeyHDFXDYCONIIRBZ-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.05
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

3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119885053
2-(1-ethylpiperidin-4-yl)ethylurea
CID 90844616
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(methylamino)acetamide
CID 120704735
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide
CID 119898863
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119885076
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879430
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119885023
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119885013
N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 154780462

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide (CID 119885020) is 2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide is CCN1CCC(CCNC(=O)Cc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide?
The InChIKey is HDFXDYCONIIRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-20-11-8-14(9-12-20)7-10-19-17(21)13-15-3-5-16(18)6-4-15/h3-6,14H,2,7-13,18H2,1H3,(H,19,21).
What are the key properties of 2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide?
2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.05, 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-(1-ethylpiperidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 119885020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).