N-(4-formylphenyl)-3-piperidin-1-ylpropanamide

C15H20N2O2 — CID 123230186

IUPACN-(4-formylphenyl)-3-piperidin-1-ylpropanamide
SMILESO=Cc1ccc(NC(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2/c18-12-13-4-6-14(7-5-13)16-15(19)8-11-17-9-2-1-3-10-17/h4-7,12H,1-3,8-11H2,(H,16,19)
InChIKeyIRRCRKYTODPJHA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.31
Rot. Bonds5

About N-(4-formylphenyl)-3-piperidin-1-ylpropanamide

N-(4-formylphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 123230186) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(4-formylphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-3-piperidin-1-ylpropanamide
PubChem CID123230186
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(4-formylphenyl)-3-piperidin-1-ylpropanamide
SMILESO=Cc1ccc(NC(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2/c18-12-13-4-6-14(7-5-13)16-15(19)8-11-17-9-2-1-3-10-17/h4-7,12H,1-3,8-11H2,(H,16,19)
InChIKeyIRRCRKYTODPJHA-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.31
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

N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 123461510
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
N-(4-formylphenyl)butanamide
CID 14471017

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(4-formylphenyl)-3-piperidin-1-ylpropanamide (CID 123230186) is N-(4-formylphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(4-formylphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(4-formylphenyl)-3-piperidin-1-ylpropanamide is O=Cc1ccc(NC(=O)CCN2CCCCC2)cc1.
What is the InChIKey of N-(4-formylphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is IRRCRKYTODPJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-12-13-4-6-14(7-5-13)16-15(19)8-11-17-9-2-1-3-10-17/h4-7,12H,1-3,8-11H2,(H,16,19).
What are the key properties of N-(4-formylphenyl)-3-piperidin-1-ylpropanamide?
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 123230186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).