3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide

C17H25N3O — CID 115341222

IUPAC3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
SMILESNc1cccc(CCC(=O)NC2CCN(C3CC3)CC2)c1
InChIInChI=1S/C17H25N3O/c18-14-3-1-2-13(12-14)4-7-17(21)19-15-8-10-20(11-9-15)16-5-6-16/h1-3,12,15-16H,4-11,18H2,(H,19,21)
InChIKeyCLFQKMMOGYBNPU-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.94
Rot. Bonds5

About 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide

3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide (PubChem CID 115341222) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
PubChem CID115341222
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
SMILESNc1cccc(CCC(=O)NC2CCN(C3CC3)CC2)c1
InChIInChI=1S/C17H25N3O/c18-14-3-1-2-13(12-14)4-7-17(21)19-15-8-10-20(11-9-15)16-5-6-16/h1-3,12,15-16H,4-11,18H2,(H,19,21)
InChIKeyCLFQKMMOGYBNPU-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 43051485
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695406
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
CID 91773911
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
3-(3-aminophenyl)-N-piperidin-1-ylpropanamide
CID 83012793
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
3-(3-aminophenyl)-N-(2-methyloxolan-3-yl)propanamide
CID 82725114
3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
CID 79872226

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide (CID 115341222) is 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide is Nc1cccc(CCC(=O)NC2CCN(C3CC3)CC2)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
The InChIKey is CLFQKMMOGYBNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-14-3-1-2-13(12-14)4-7-17(21)19-15-8-10-20(11-9-15)16-5-6-16/h1-3,12,15-16H,4-11,18H2,(H,19,21).
What are the key properties of 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide has a molecular weight of 287.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide is sourced from PubChem (CID 115341222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).