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

C15H23N3O — CID 16778789

IUPACN-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccccc2N)CC1
InChIInChI=1S/C15H23N3O/c1-12-6-9-18(10-7-12)11-8-15(19)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11,16H2,1H3,(H,17,19)
InChIKeyCTQUBDOICKTXGG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.33
Rot. Bonds4

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

N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 16778789) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID16778789
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccccc2N)CC1
InChIInChI=1S/C15H23N3O/c1-12-6-9-18(10-7-12)11-8-15(19)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11,16H2,1H3,(H,17,19)
InChIKeyCTQUBDOICKTXGG-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627
N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
CID 61439799
ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate
CID 109014620
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432
N-(2-aminophenyl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797111
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588
N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590088

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 16778789) is N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide is CC1CCN(CCC(=O)Nc2ccccc2N)CC1.
What is the InChIKey of N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is CTQUBDOICKTXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-6-9-18(10-7-12)11-8-15(19)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11,16H2,1H3,(H,17,19).
What are the key properties of N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16778789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).