N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide

C22H26N2O2 — CID 14783873

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide
SMILESO=Cc1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c25-17-20-6-8-21(9-7-20)22(26)23-13-10-18-11-14-24(15-12-18)16-19-4-2-1-3-5-19/h1-9,17-18H,10-16H2,(H,23,26)
InChIKeyRFIGHRHRDRSKGU-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide (PubChem CID 14783873) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide
PubChem CID14783873
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide
SMILESO=Cc1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c25-17-20-6-8-21(9-7-20)22(26)23-13-10-18-11-14-24(15-12-18)16-19-4-2-1-3-5-19/h1-9,17-18H,10-16H2,(H,23,26)
InChIKeyRFIGHRHRDRSKGU-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide (CID 14783873) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide is O=Cc1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide?
The InChIKey is RFIGHRHRDRSKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-17-20-6-8-21(9-7-20)22(26)23-13-10-18-11-14-24(15-12-18)16-19-4-2-1-3-5-19/h1-9,17-18H,10-16H2,(H,23,26).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide is sourced from PubChem (CID 14783873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).