N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide

C14H28N2O2 — CID 111434025

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

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide (PubChem CID 111434025) 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]-2-methylpentanamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide
PubChem CID111434025
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-3-5-12(2)14(18)15-8-4-9-16-10-6-13(17)7-11-16/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyFQZHUKWDPMPNOK-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

2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride
CID 119851060
2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide
CID 129181028
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
CID 100840842
3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide
CID 109379709
1-octylpiperidin-4-ol
CID 62022103
1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one
CID 123734816
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 55104284
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
(2R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methoxy-2-phenylacetamide
CID 110021427
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
4-(2-methylpentanoylamino)butanoic acid
CID 43209777

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide (CID 111434025) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide is CCCC(C)C(=O)NCCCN1CCC(O)CC1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide?
The InChIKey is FQZHUKWDPMPNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-12(2)14(18)15-8-4-9-16-10-6-13(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]-2-methylpentanamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-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]-2-methylpentanamide is sourced from PubChem (CID 111434025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).