3-formyl-N-(1-methylpiperidin-4-yl)benzamide

C14H18N2O2 — CID 90104631

IUPAC3-formyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(C=O)c2)CC1
InChIInChI=1S/C14H18N2O2/c1-16-7-5-13(6-8-16)15-14(18)12-4-2-3-11(9-12)10-17/h2-4,9-10,13H,5-8H2,1H3,(H,15,18)
InChIKeyOAOCBUHXCQWKSL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.32
Rot. Bonds3

About 3-formyl-N-(1-methylpiperidin-4-yl)benzamide

3-formyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 90104631) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-formyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-formyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID90104631
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-formyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(C=O)c2)CC1
InChIInChI=1S/C14H18N2O2/c1-16-7-5-13(6-8-16)15-14(18)12-4-2-3-11(9-12)10-17/h2-4,9-10,13H,5-8H2,1H3,(H,15,18)
InChIKeyOAOCBUHXCQWKSL-UHFFFAOYSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.32
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

ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
5-ethenyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 155919871
3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60817013
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94149541
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-formyl-N-(1-methylpiperidin-4-yl)benzamide (CID 90104631) is 3-formyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-formyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-formyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2cccc(C=O)c2)CC1.
What is the InChIKey of 3-formyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is OAOCBUHXCQWKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-7-5-13(6-8-16)15-14(18)12-4-2-3-11(9-12)10-17/h2-4,9-10,13H,5-8H2,1H3,(H,15,18).
What are the key properties of 3-formyl-N-(1-methylpiperidin-4-yl)benzamide?
3-formyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 246.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 90104631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).