1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde

C14H24N2O2 — CID 62654368

IUPAC1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
SMILESCC1CCCCN1C(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C14H24N2O2/c1-12-5-2-3-8-16(12)14(18)10-15-7-4-6-13(9-15)11-17/h11-13H,2-10H2,1H3
InChIKeyZMANWBNHIKPMTR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.30
Rot. Bonds3

About 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde

1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde (PubChem CID 62654368) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
PubChem CID62654368
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
SMILESCC1CCCCN1C(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C14H24N2O2/c1-12-5-2-3-8-16(12)14(18)10-15-7-4-6-13(9-15)11-17/h11-13H,2-10H2,1H3
InChIKeyZMANWBNHIKPMTR-UHFFFAOYSA-N
XLogP1.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 63873492
2-(4-amino-3-ethylpiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 81458745
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
CID 62656037
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
N-ethyl-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62655686
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 107408374
N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 42542254
2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 62656728

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde?
The IUPAC name of 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde (CID 62654368) is 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde.
What is the SMILES notation for 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde?
The canonical SMILES for 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde is CC1CCCCN1C(=O)CN1CCCC(C=O)C1.
What is the InChIKey of 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde?
The InChIKey is ZMANWBNHIKPMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12-5-2-3-8-16(12)14(18)10-15-7-4-6-13(9-15)11-17/h11-13H,2-10H2,1H3.
What are the key properties of 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde?
1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde has a molecular weight of 252.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde is sourced from PubChem (CID 62654368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).