N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide

C15H23N3O2 — CID 43590088

IUPACN-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESNc1ccccc1NC(=O)CCN1CCCC(CO)C1
InChIInChI=1S/C15H23N3O2/c16-13-5-1-2-6-14(13)17-15(20)7-9-18-8-3-4-12(10-18)11-19/h1-2,5-6,12,19H,3-4,7-11,16H2,(H,17,20)
InChIKeyIEIHZUABNXQIMN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.30
Rot. Bonds5

About N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide

N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 43590088) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID43590088
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESNc1ccccc1NC(=O)CCN1CCCC(CO)C1
InChIInChI=1S/C15H23N3O2/c16-13-5-1-2-6-14(13)17-15(20)7-9-18-8-3-4-12(10-18)11-19/h1-2,5-6,12,19H,3-4,7-11,16H2,(H,17,20)
InChIKeyIEIHZUABNXQIMN-UHFFFAOYSA-N
XLogP1.30
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588
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N-(2-aminophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
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N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
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N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
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3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 111543866
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
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N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
CID 61439799
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
N-(3-amino-2-methylphenyl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797087

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide (CID 43590088) is N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide is Nc1ccccc1NC(=O)CCN1CCCC(CO)C1.
What is the InChIKey of N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is IEIHZUABNXQIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-13-5-1-2-6-14(13)17-15(20)7-9-18-8-3-4-12(10-18)11-19/h1-2,5-6,12,19H,3-4,7-11,16H2,(H,17,20).
What are the key properties of N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 43590088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).