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

C14H21N3O2 — CID 16793627

IUPACN-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1CCC(O)CC1
InChIInChI=1S/C14H21N3O2/c15-12-3-1-2-4-13(12)16-14(19)7-10-17-8-5-11(18)6-9-17/h1-4,11,18H,5-10,15H2,(H,16,19)
InChIKeyKELIUNHOXMTSAL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.05
Rot. Bonds4

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

N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide (PubChem CID 16793627) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
PubChem CID16793627
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1CCC(O)CC1
InChIInChI=1S/C14H21N3O2/c15-12-3-1-2-4-13(12)16-14(19)7-10-17-8-5-11(18)6-9-17/h1-4,11,18H,5-10,15H2,(H,16,19)
InChIKeyKELIUNHOXMTSAL-UHFFFAOYSA-N
XLogP1.05
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.05
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

N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
CID 61439799
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-(1,4-oxazepan-4-yl)propanamide
CID 55151809
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588
N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590088
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(2-aminophenyl)-3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanamide
CID 80579397

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide (CID 16793627) is N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide is Nc1ccccc1NC(=O)CCN1CCC(O)CC1.
What is the InChIKey of N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide?
The InChIKey is KELIUNHOXMTSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12-3-1-2-4-13(12)16-14(19)7-10-17-8-5-11(18)6-9-17/h1-4,11,18H,5-10,15H2,(H,16,19).
What are the key properties of N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide?
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide is sourced from PubChem (CID 16793627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).