N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride

C16H27Cl2N3O2 — CID 119859796

IUPACN-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1ccccc1N1CCC(O)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-17-10-4-7-16(21)18-14-5-2-3-6-15(14)19-11-8-13(20)9-12-19;;/h2-3,5-6,13,17,20H,4,7-12H2,1H3,(H,18,21);2*1H
InChIKeyRIJBUBQOSOHFTH-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119859796) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119859796
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1ccccc1N1CCC(O)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-17-10-4-7-16(21)18-14-5-2-3-6-15(14)19-11-8-13(20)9-12-19;;/h2-3,5-6,13,17,20H,4,7-12H2,1H3,(H,18,21);2*1H
InChIKeyRIJBUBQOSOHFTH-UHFFFAOYSA-N
XLogP2.43
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901029
3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride
CID 120612614
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide
CID 111109805
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4-dimethylpentanamide
CID 110929437
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119859815
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide
CID 71922108
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-pentoxyacetamide
CID 110909879
3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride
CID 119953315
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119799491
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 111537095

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride (CID 119859796) is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)Nc1ccccc1N1CCC(O)CC1.Cl.Cl.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is RIJBUBQOSOHFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-17-10-4-7-16(21)18-14-5-2-3-6-15(14)19-11-8-13(20)9-12-19;;/h2-3,5-6,13,17,20H,4,7-12H2,1H3,(H,18,21);2*1H.
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride?
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119859796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).