3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide

C28H33N3O4 — CID 68529595

IUPAC3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide
SMILESCOCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(C(N)=O)c4)CC3)cc2c1
InChIInChI=1S/C28H33N3O4/c1-34-13-14-35-19-21-6-8-22-7-5-20(15-25(22)16-21)18-31-11-9-26(10-12-31)30-28(33)24-4-2-3-23(17-24)27(29)32/h2-8,15-17,26H,9-14,18-19H2,1H3,(H2,29,32)(H,30,33)
InChIKeySEYSJQDNSCIYOO-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.50
Rot. Bonds10

About 3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide

3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide (PubChem CID 68529595) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide
PubChem CID68529595
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide
SMILESCOCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(C(N)=O)c4)CC3)cc2c1
InChIInChI=1S/C28H33N3O4/c1-34-13-14-35-19-21-6-8-22-7-5-20(15-25(22)16-21)18-31-11-9-26(10-12-31)30-28(33)24-4-2-3-23(17-24)27(29)32/h2-8,15-17,26H,9-14,18-19H2,1H3,(H2,29,32)(H,30,33)
InChIKeySEYSJQDNSCIYOO-UHFFFAOYSA-N
XLogP3.50
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 68972696
N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 24954046
N-[1-[[7-(2-hydroxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24952293
N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24951571
3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954774
tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate
CID 90836588
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide
CID 24955133
2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 174597488
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide (CID 68529595) is 3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide is COCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(C(N)=O)c4)CC3)cc2c1.
What is the InChIKey of 3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide?
The InChIKey is SEYSJQDNSCIYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-34-13-14-35-19-21-6-8-22-7-5-20(15-25(22)16-21)18-31-11-9-26(10-12-31)30-28(33)24-4-2-3-23(17-24)27(29)32/h2-8,15-17,26H,9-14,18-19H2,1H3,(H2,29,32)(H,30,33).
What are the key properties of 3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide?
3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 68529595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).