(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde

C11H18N2O2 — CID 22880971

IUPAC(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H18N2O2/c14-8-9-4-3-7-13(9)11(15)10-5-1-2-6-12-10/h8-10,12H,1-7H2/t9-,10-/m0/s1
InChIKeyUNMYDGQSNGUTGP-UWVGGRQHSA-N
MW210.28 g/mol
LogP0.32
Rot. Bonds2

About (2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde

(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde (PubChem CID 22880971) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde
PubChem CID22880971
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H18N2O2/c14-8-9-4-3-7-13(9)11(15)10-5-1-2-6-12-10/h8-10,12H,1-7H2/t9-,10-/m0/s1
InChIKeyUNMYDGQSNGUTGP-UWVGGRQHSA-N
XLogP0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.32
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

[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217930
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 104912709
azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 64569542
1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde
CID 146358075
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
[(2R)-piperidin-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 104914149
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde (CID 22880971) is (2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde is O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde?
The InChIKey is UNMYDGQSNGUTGP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-8-9-4-3-7-13(9)11(15)10-5-1-2-6-12-10/h8-10,12H,1-7H2/t9-,10-/m0/s1.
What are the key properties of (2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde?
(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde has a molecular weight of 210.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 22880971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).