N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide

C17H27N3O — CID 43584150

IUPACN-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
SMILESCCC1CCCN(CCCC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C17H27N3O/c1-2-14-6-4-10-20(13-14)11-5-9-17(21)19-16-8-3-7-15(18)12-16/h3,7-8,12,14H,2,4-6,9-11,13,18H2,1H3,(H,19,21)
InChIKeyUTCPVBTXYFIFFG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.11
Rot. Bonds6

About N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide

N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide (PubChem CID 43584150) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
PubChem CID43584150
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
SMILESCCC1CCCN(CCCC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C17H27N3O/c1-2-14-6-4-10-20(13-14)11-5-9-17(21)19-16-8-3-7-15(18)12-16/h3,7-8,12,14H,2,4-6,9-11,13,18H2,1H3,(H,19,21)
InChIKeyUTCPVBTXYFIFFG-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969
N-(3-aminophenyl)-4-(2-methylmorpholin-4-yl)butanamide
CID 16779606
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide
CID 62546343
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
N-(3-aminophenyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)butanamide
CID 62490976
4-(4-hydroxy-3-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide
CID 114681479

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide?
The IUPAC name of N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide (CID 43584150) is N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide?
The canonical SMILES for N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide is CCC1CCCN(CCCC(=O)Nc2cccc(N)c2)C1.
What is the InChIKey of N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide?
The InChIKey is UTCPVBTXYFIFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-14-6-4-10-20(13-14)11-5-9-17(21)19-16-8-3-7-15(18)12-16/h3,7-8,12,14H,2,4-6,9-11,13,18H2,1H3,(H,19,21).
What are the key properties of N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide?
N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide has a molecular weight of 289.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide is sourced from PubChem (CID 43584150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).