2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride

C13H29Cl2N3O2 — CID 119851060

IUPAC2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NCCCN1CCC(O)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-2-4-12(14)13(18)15-7-3-8-16-9-5-11(17)6-10-16;;/h11-12,17H,2-10,14H2,1H3,(H,15,18);2*1H
InChIKeyGVKUKUZIBLEBGX-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.92
Rot. Bonds7

About 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride

2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride (PubChem CID 119851060) has the molecular formula C13H29Cl2N3O2 and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride
PubChem CID119851060
Molecular FormulaC13H29Cl2N3O2
Molecular Weight330.30 g/mol
Exact Mass329.16
IUPAC Name2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NCCCN1CCC(O)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-2-4-12(14)13(18)15-7-3-8-16-9-5-11(17)6-10-16;;/h11-12,17H,2-10,14H2,1H3,(H,15,18);2*1H
InChIKeyGVKUKUZIBLEBGX-UHFFFAOYSA-N
XLogP0.92
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;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-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide
CID 111434025
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-amino-5-(diaminomethylamino)pentanoyl]amino]propyl]piperazin-1-yl]propyl]-5-(diaminomethylamino)pentanamide
CID 126654108
2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide
CID 129181028
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]hexanamide
CID 54860791
1-octylpiperidin-4-ol
CID 62022103
2-amino-N-propylpentanamide
CID 43649977
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 107569104

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride (CID 119851060) is 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride is CCCC(N)C(=O)NCCCN1CCC(O)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride?
The InChIKey is GVKUKUZIBLEBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.2ClH/c1-2-4-12(14)13(18)15-7-3-8-16-9-5-11(17)6-10-16;;/h11-12,17H,2-10,14H2,1H3,(H,15,18);2*1H.
What are the key properties of 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride?
2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride has a molecular weight of 330.30 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119851060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).