N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide

C14H21N3O — CID 16779145

IUPACN-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C14H21N3O/c1-11-3-2-8-17(9-11)10-14(18)16-13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10,15H2,1H3,(H,16,18)
InChIKeyIQSBCBPHNKXHQJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.94
Rot. Bonds3

About N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide

N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 16779145) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID16779145
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C14H21N3O/c1-11-3-2-8-17(9-11)10-14(18)16-13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10,15H2,1H3,(H,16,18)
InChIKeyIQSBCBPHNKXHQJ-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.94
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-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109006515
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 1152741
N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
CID 858222
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide (CID 16779145) is N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)Nc2ccc(N)cc2)C1.
What is the InChIKey of N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is IQSBCBPHNKXHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-3-2-8-17(9-11)10-14(18)16-13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10,15H2,1H3,(H,16,18).
What are the key properties of N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide?
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 16779145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).