3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide

C26H28N2O3 — CID 24954776

IUPAC3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(Cc3ccc4ccc(CC=O)cc4c3)CC2)c1
InChIInChI=1S/C26H28N2O3/c1-31-25-4-2-3-22(17-25)26(30)27-24-9-12-28(13-10-24)18-20-6-8-21-7-5-19(11-14-29)15-23(21)16-20/h2-8,14-17,24H,9-13,18H2,1H3,(H,27,30)
InChIKeyLHVPLPPKRLOQLG-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.98
Rot. Bonds7

About 3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide

3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 24954776) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
PubChem CID24954776
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(Cc3ccc4ccc(CC=O)cc4c3)CC2)c1
InChIInChI=1S/C26H28N2O3/c1-31-25-4-2-3-22(17-25)26(30)27-24-9-12-28(13-10-24)18-20-6-8-21-7-5-19(11-14-29)15-23(21)16-20/h2-8,14-17,24H,9-13,18H2,1H3,(H,27,30)
InChIKeyLHVPLPPKRLOQLG-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide
CID 68524871
N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24951571
N-[1-[[7-(2-hydroxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24952293
3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954774
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 68972696
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 24954046
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide
CID 68529595
N-cyclopropyl-3-methoxybenzamide
CID 900156

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide (CID 24954776) is 3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide is COc1cccc(C(=O)NC2CCN(Cc3ccc4ccc(CC=O)cc4c3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is LHVPLPPKRLOQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-31-25-4-2-3-22(17-25)26(30)27-24-9-12-28(13-10-24)18-20-6-8-21-7-5-19(11-14-29)15-23(21)16-20/h2-8,14-17,24H,9-13,18H2,1H3,(H,27,30).
What are the key properties of 3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 24954776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).