1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde

C11H18N2O2 — CID 107530842

IUPAC1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(CC2CCC(=O)N2)CC1
InChIInChI=1S/C11H18N2O2/c14-8-9-3-5-13(6-4-9)7-10-1-2-11(15)12-10/h8-10H,1-7H2,(H,12,15)
InChIKeyYTLIVDQLDQYNAB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.18
Rot. Bonds3

About 1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde

1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde (PubChem CID 107530842) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde
PubChem CID107530842
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(CC2CCC(=O)N2)CC1
InChIInChI=1S/C11H18N2O2/c14-8-9-3-5-13(6-4-9)7-10-1-2-11(15)12-10/h8-10H,1-7H2,(H,12,15)
InChIKeyYTLIVDQLDQYNAB-UHFFFAOYSA-N
XLogP0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67158038
(5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one
CID 67157930
(5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67157820
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one
CID 103668847
2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107530362
1-(cyclopropylmethyl)piperidine-4-carbaldehyde
CID 62656102
5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 107530604
1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 107530315
1-(cyclobutylmethyl)piperidine-4-carbaldehyde
CID 65461855
5-[[4-(4-sulfanylphenyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 171622133
(5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one
CID 67157650
(5-oxopyrrolidin-2-yl)methyl formate
CID 21221170

Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde (CID 107530842) is 1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde is O=CC1CCN(CC2CCC(=O)N2)CC1.
What is the InChIKey of 1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde?
The InChIKey is YTLIVDQLDQYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-8-9-3-5-13(6-4-9)7-10-1-2-11(15)12-10/h8-10H,1-7H2,(H,12,15).
What are the key properties of 1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde?
1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde has a molecular weight of 210.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 107530842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).