3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide

C17H27N3O — CID 104502480

IUPAC3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
SMILESCC(CC(=O)NCCN1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C17H27N3O/c1-14(15-5-7-16(18)8-6-15)13-17(21)19-9-12-20-10-3-2-4-11-20/h5-8,14H,2-4,9-13,18H2,1H3,(H,19,21)
InChIKeyUKOUYLDHSMQMFT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.36
Rot. Bonds6

About 3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide

3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide (PubChem CID 104502480) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
PubChem CID104502480
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
SMILESCC(CC(=O)NCCN1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C17H27N3O/c1-14(15-5-7-16(18)8-6-15)13-17(21)19-9-12-20-10-3-2-4-11-20/h5-8,14H,2-4,9-13,18H2,1H3,(H,19,21)
InChIKeyUKOUYLDHSMQMFT-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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

3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 104502977
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-(4-aminophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106026170
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
3-(4-aminophenyl)-N-hex-5-ynylbutanamide
CID 106213111
4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
CID 166390762
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
CID 104502586
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527
1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6469065

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide (CID 104502480) is 3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide is CC(CC(=O)NCCN1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide?
The InChIKey is UKOUYLDHSMQMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(15-5-7-16(18)8-6-15)13-17(21)19-9-12-20-10-3-2-4-11-20/h5-8,14H,2-4,9-13,18H2,1H3,(H,19,21).
What are the key properties of 3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide?
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide is sourced from PubChem (CID 104502480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).