N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide

C14H28N2O2 — CID 111429541

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)4-5-14(18)15-8-3-9-16-10-6-13(17)7-11-16/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyYZEANLBKPADWRL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds7

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide (PubChem CID 111429541) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
PubChem CID111429541
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)4-5-14(18)15-8-3-9-16-10-6-13(17)7-11-16/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyYZEANLBKPADWRL-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide
CID 111434025
formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide
CID 154910365
2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride
CID 119851060
3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide
CID 167209930
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 111429543
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429425
4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide
CID 168721590
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
CID 111429498
3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
CID 111429680
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111057067

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide (CID 111429541) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide is CC(C)CCC(=O)NCCCN1CCC(O)CC1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide?
The InChIKey is YZEANLBKPADWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)4-5-14(18)15-8-3-9-16-10-6-13(17)7-11-16/h12-13,17H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide has a molecular weight of 256.39 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide is sourced from PubChem (CID 111429541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).