N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide

C13H24N2O3 — CID 102737035

IUPACN-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)CCCCO)CC1
InChIInChI=1S/C13H24N2O3/c1-11(17)14-10-12-5-7-15(8-6-12)13(18)4-2-3-9-16/h12,16H,2-10H2,1H3,(H,14,17)
InChIKeyHITKKLULNZRQRF-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.52
Rot. Bonds6

About N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide

N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102737035) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide
PubChem CID102737035
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)CCCCO)CC1
InChIInChI=1S/C13H24N2O3/c1-11(17)14-10-12-5-7-15(8-6-12)13(18)4-2-3-9-16/h12,16H,2-10H2,1H3,(H,14,17)
InChIKeyHITKKLULNZRQRF-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.52
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

3-[4-(acetamidomethyl)piperidin-1-yl]-3-oxopropanoic acid
CID 102736982
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
CID 102736688
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
N-[[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736162
N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 121200657
N-[[1-(3-hydroxypropanoyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131921966
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-(5-hydroxypentanoyl)piperidine-4-carboxamide
CID 79199439
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide (CID 102737035) is N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)CCCCO)CC1.
What is the InChIKey of N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is HITKKLULNZRQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(17)14-10-12-5-7-15(8-6-12)13(18)4-2-3-9-16/h12,16H,2-10H2,1H3,(H,14,17).
What are the key properties of N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102737035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).