3-(3-aminophenyl)-N-piperidin-1-ylpropanamide

C14H21N3O — CID 83012793

IUPAC3-(3-aminophenyl)-N-piperidin-1-ylpropanamide
SMILESNc1cccc(CCC(=O)NN2CCCCC2)c1
InChIInChI=1S/C14H21N3O/c15-13-6-4-5-12(11-13)7-8-14(18)16-17-9-2-1-3-10-17/h4-6,11H,1-3,7-10,15H2,(H,16,18)
InChIKeyVNMWEZLINPXECC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.72
Rot. Bonds4

About 3-(3-aminophenyl)-N-piperidin-1-ylpropanamide

3-(3-aminophenyl)-N-piperidin-1-ylpropanamide (PubChem CID 83012793) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-piperidin-1-ylpropanamide
PubChem CID83012793
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(3-aminophenyl)-N-piperidin-1-ylpropanamide
SMILESNc1cccc(CCC(=O)NN2CCCCC2)c1
InChIInChI=1S/C14H21N3O/c15-13-6-4-5-12(11-13)7-8-14(18)16-17-9-2-1-3-10-17/h4-6,11H,1-3,7-10,15H2,(H,16,18)
InChIKeyVNMWEZLINPXECC-UHFFFAOYSA-N
XLogP1.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.72
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-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
3-(3-aminophenyl)-N-cyanopropanamide
CID 115341549
3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide
CID 80695549
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341222
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
methyl 1-[3-(3-aminophenyl)propanoyl]piperidine-3-carboxylate
CID 115533094
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
CID 28713636
2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 62500018

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-piperidin-1-ylpropanamide?
The IUPAC name of 3-(3-aminophenyl)-N-piperidin-1-ylpropanamide (CID 83012793) is 3-(3-aminophenyl)-N-piperidin-1-ylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-piperidin-1-ylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-piperidin-1-ylpropanamide is Nc1cccc(CCC(=O)NN2CCCCC2)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-piperidin-1-ylpropanamide?
The InChIKey is VNMWEZLINPXECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-13-6-4-5-12(11-13)7-8-14(18)16-17-9-2-1-3-10-17/h4-6,11H,1-3,7-10,15H2,(H,16,18).
What are the key properties of 3-(3-aminophenyl)-N-piperidin-1-ylpropanamide?
3-(3-aminophenyl)-N-piperidin-1-ylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-piperidin-1-ylpropanamide is sourced from PubChem (CID 83012793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).