N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide

C12H24N2O2 — CID 106841935

IUPACN-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCCCCO
InChIInChI=1S/C12H24N2O2/c15-10-2-1-7-14-12(16)4-3-11-5-8-13-9-6-11/h11,13,15H,1-10H2,(H,14,16)
InChIKeyGOECGJDZYOPEQM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds7

About N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide

N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide (PubChem CID 106841935) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
PubChem CID106841935
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCCCCO
InChIInChI=1S/C12H24N2O2/c15-10-2-1-7-14-12(16)4-3-11-5-8-13-9-6-11/h11,13,15H,1-10H2,(H,14,16)
InChIKeyGOECGJDZYOPEQM-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
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-aminopropyl)-3-piperidin-4-ylpropanamide
CID 62211796
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643
N-(3-cyclohexyloxypropyl)-3-piperidin-4-ylpropanamide
CID 62210078
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide
CID 83109441
N-(4-hydroxy-2,2-dimethylbutyl)-3-piperidin-4-ylpropanamide
CID 114150053
2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 114006841
N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 113343484
N-(3-phenoxypropyl)-3-piperidin-4-ylpropanamide
CID 62378766
2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
N-(2-cyclopropylethyl)-4-hydroxybutanamide
CID 79192412

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide (CID 106841935) is N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide?
The InChIKey is GOECGJDZYOPEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-10-2-1-7-14-12(16)4-3-11-5-8-13-9-6-11/h11,13,15H,1-10H2,(H,14,16).
What are the key properties of N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide?
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 106841935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).