1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one

C14H26N2O2 — CID 111116676

IUPAC1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCCN(CCCCCO)C1
InChIInChI=1S/C14H26N2O2/c17-11-3-1-2-8-15-9-4-6-13(12-15)16-10-5-7-14(16)18/h13,17H,1-12H2
InChIKeyWZOUIQZJIAYLIZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.24
Rot. Bonds6

About 1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one

1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one (PubChem CID 111116676) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one
PubChem CID111116676
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCCN(CCCCCO)C1
InChIInChI=1S/C14H26N2O2/c17-11-3-1-2-8-15-9-4-6-13(12-15)16-10-5-7-14(16)18/h13,17H,1-12H2
InChIKeyWZOUIQZJIAYLIZ-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one
CID 95463875
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-ol
CID 103737930
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
1-(1-butylazetidin-3-yl)pyrrolidin-2-one
CID 176923979
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
1-(5-hydroxypentyl)piperidine-3-carbaldehyde
CID 62654377
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-cyclodecylpyrrolidin-2-one
CID 138507623
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971
4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol
CID 110931810
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
CID 75515986

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one (CID 111116676) is 1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one is O=C1CCCN1C1CCCN(CCCCCO)C1.
What is the InChIKey of 1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is WZOUIQZJIAYLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-11-3-1-2-8-15-9-4-6-13(12-15)16-10-5-7-14(16)18/h13,17H,1-12H2.
What are the key properties of 1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one?
1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 111116676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).