1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide

C13H15ClN2O2 — CID 28603686

IUPAC1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cccc(Cl)c2C=O)CC1
InChIInChI=1S/C13H15ClN2O2/c14-11-2-1-3-12(10(11)8-17)16-6-4-9(5-7-16)13(15)18/h1-3,8-9H,4-7H2,(H2,15,18)
InChIKeyXXDZAXMMKOQWGE-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.85
Rot. Bonds3

About 1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide

1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide (PubChem CID 28603686) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide
PubChem CID28603686
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cccc(Cl)c2C=O)CC1
InChIInChI=1S/C13H15ClN2O2/c14-11-2-1-3-12(10(11)8-17)16-6-4-9(5-7-16)13(15)18/h1-3,8-9H,4-7H2,(H2,15,18)
InChIKeyXXDZAXMMKOQWGE-UHFFFAOYSA-N
XLogP1.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.85
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-chloro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzaldehyde
CID 114679035
4-(3-chloro-2-formylphenyl)piperazine-1-carbaldehyde
CID 122470945
1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
CID 43312913
2-chloro-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzaldehyde
CID 63170073
ethyl 4-(3-chloro-2-formylphenyl)piperazine-1-carboxylate
CID 107877137
1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 77230471
1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide
CID 66336044
2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzaldehyde
CID 66391144
1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide
CID 114068114
1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide
CID 169335732
2-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 43590389
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide (CID 28603686) is 1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2cccc(Cl)c2C=O)CC1.
What is the InChIKey of 1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide?
The InChIKey is XXDZAXMMKOQWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-11-2-1-3-12(10(11)8-17)16-6-4-9(5-7-16)13(15)18/h1-3,8-9H,4-7H2,(H2,15,18).
What are the key properties of 1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide?
1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 28603686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).