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

C15H23N3O — CID 106590880

IUPAC2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CCN(C)CC1)c1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-11(12-4-3-5-13(16)10-12)15(19)17-14-6-8-18(2)9-7-14/h3-5,10-11,14H,6-9,16H2,1-2H3,(H,17,19)
InChIKeyFVOOWJDCIBOCBZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.58
Rot. Bonds3

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

2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 106590880) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID106590880
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CCN(C)CC1)c1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-11(12-4-3-5-13(16)10-12)15(19)17-14-6-8-18(2)9-7-14/h3-5,10-11,14H,6-9,16H2,1-2H3,(H,17,19)
InChIKeyFVOOWJDCIBOCBZ-UHFFFAOYSA-N
XLogP1.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.58
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

2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106590972
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide
CID 106591567
2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide
CID 106591319
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107162879
2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
CID 106591528
2-(3-aminophenyl)-N-(2-methoxycyclopentyl)propanamide
CID 106591347
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
2-(3-bromophenyl)-N-cyclopropylpropanamide
CID 176514290
3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 61094992
2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 106591532

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide (CID 106590880) is 2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide is CC(C(=O)NC1CCN(C)CC1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is FVOOWJDCIBOCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(12-4-3-5-13(16)10-12)15(19)17-14-6-8-18(2)9-7-14/h3-5,10-11,14H,6-9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide?
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 106590880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).