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

C15H23N3O — CID 16778633

IUPACN-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1CCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-12-5-2-3-9-18(12)10-8-15(19)17-14-7-4-6-13(16)11-14/h4,6-7,11-12H,2-3,5,8-10,16H2,1H3,(H,17,19)
InChIKeyYILRJBPDHOAPEY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.47
Rot. Bonds4

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

N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide (PubChem CID 16778633) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
PubChem CID16778633
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1CCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-12-5-2-3-9-18(12)10-8-15(19)17-14-7-4-6-13(16)11-14/h4,6-7,11-12H,2-3,5,8-10,16H2,1H3,(H,17,19)
InChIKeyYILRJBPDHOAPEY-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.47
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)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
CID 83052120
1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 82071339
N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 43187511
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114592196
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide
CID 82224680
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide (CID 16778633) is N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide is CC1CCCCN1CCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is YILRJBPDHOAPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-2-3-9-18(12)10-8-15(19)17-14-7-4-6-13(16)11-14/h4,6-7,11-12H,2-3,5,8-10,16H2,1H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16778633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).