5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde

C12H15NO3 — CID 114501239

IUPAC5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde
SMILESCC1CN(Cc2ccc(C=O)o2)CCC1=O
InChIInChI=1S/C12H15NO3/c1-9-6-13(5-4-12(9)15)7-10-2-3-11(8-14)16-10/h2-3,8-9H,4-7H2,1H3
InChIKeyGZJAZGGDXPGBIP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.50
Rot. Bonds3

About 5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde

5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde (PubChem CID 114501239) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde
PubChem CID114501239
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde
SMILESCC1CN(Cc2ccc(C=O)o2)CCC1=O
InChIInChI=1S/C12H15NO3/c1-9-6-13(5-4-12(9)15)7-10-2-3-11(8-14)16-10/h2-3,8-9H,4-7H2,1H3
InChIKeyGZJAZGGDXPGBIP-UHFFFAOYSA-N
XLogP1.50
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde
CID 102960340
5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde
CID 102960754
1-benzyl-3-methylpiperidin-4-one
CID 560965
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one
CID 106373083
5-[(2-oxo-5-propan-2-ylazepan-1-yl)methyl]furan-2-carbaldehyde
CID 113372368
4-[(3-methyl-4-oxopiperidin-1-yl)methyl]benzoic acid
CID 114500404
3-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-one
CID 114500242
5-[(4-ethyl-2,5-dioxopiperazin-1-yl)methyl]furan-2-carbaldehyde
CID 113372371
(3S)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-4-one
CID 129481804
1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one
CID 114500240
5-(2-thia-5-azabicyclo[2.2.1]heptan-5-ylmethyl)furan-2-carbaldehyde
CID 130646195
1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one
CID 68799670

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde (CID 114501239) is 5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde is CC1CN(Cc2ccc(C=O)o2)CCC1=O.
What is the InChIKey of 5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde?
The InChIKey is GZJAZGGDXPGBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-6-13(5-4-12(9)15)7-10-2-3-11(8-14)16-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde?
5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 114501239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).