3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C26H33N3O5 — CID 55708296

IUPAC3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1cc(CNC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)ccc1OCC1CCCO1
InChIInChI=1S/C26H33N3O5/c1-32-24-15-19(11-12-23(24)34-18-22-10-6-14-33-22)16-27-25(30)20-7-5-13-29(17-20)26(31)28-21-8-3-2-4-9-21/h2-4,8-9,11-12,15,20,22H,5-7,10,13-14,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyGQUOSZMLQFBGRZ-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.81
Rot. Bonds8

About 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 55708296) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID55708296
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1cc(CNC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)ccc1OCC1CCCO1
InChIInChI=1S/C26H33N3O5/c1-32-24-15-19(11-12-23(24)34-18-22-10-6-14-33-22)16-27-25(30)20-7-5-13-29(17-20)26(31)28-21-8-3-2-4-9-21/h2-4,8-9,11-12,15,20,22H,5-7,10,13-14,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyGQUOSZMLQFBGRZ-UHFFFAOYSA-N
XLogP3.81
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 46466608
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076597
2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 55715976
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 55708234
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211

Frequently Asked Questions

What is the IUPAC name of 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 55708296) is 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is COc1cc(CNC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)ccc1OCC1CCCO1.
What is the InChIKey of 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is GQUOSZMLQFBGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-32-24-15-19(11-12-23(24)34-18-22-10-6-14-33-22)16-27-25(30)20-7-5-13-29(17-20)26(31)28-21-8-3-2-4-9-21/h2-4,8-9,11-12,15,20,22H,5-7,10,13-14,16-18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 467.57 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 55708296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).