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

C22H28N2O2 — CID 14783871

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-7-20(8-10-21)22(25)23-14-11-18-12-15-24(16-13-18)17-19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3,(H,23,25)
InChIKeyVNRSKNABMKCTMC-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.73
Rot. Bonds7

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide (PubChem CID 14783871) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide
PubChem CID14783871
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-7-20(8-10-21)22(25)23-14-11-18-12-15-24(16-13-18)17-19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3,(H,23,25)
InChIKeyVNRSKNABMKCTMC-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide (CID 14783871) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide?
The InChIKey is VNRSKNABMKCTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-9-7-20(8-10-21)22(25)23-14-11-18-12-15-24(16-13-18)17-19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3,(H,23,25).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide has a molecular weight of 352.48 g/mol, XLogP of 3.73, 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-methoxybenzamide is sourced from PubChem (CID 14783871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).