2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide

C26H36N2O4 — CID 21300923

IUPAC2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide
SMILESCCCCOc1ccc(N(C)C(=O)C(OC)C2(O)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H36N2O4/c1-4-5-19-32-23-13-11-22(12-14-23)27(2)25(29)24(31-3)26(30)15-17-28(18-16-26)20-21-9-7-6-8-10-21/h6-14,24,30H,4-5,15-20H2,1-3H3
InChIKeyZNPHOABGZWNZIG-UHFFFAOYSA-N
MW440.58 g/mol
LogP3.87
Rot. Bonds10

About 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide

2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide (PubChem CID 21300923) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide
PubChem CID21300923
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide
SMILESCCCCOc1ccc(N(C)C(=O)C(OC)C2(O)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H36N2O4/c1-4-5-19-32-23-13-11-22(12-14-23)27(2)25(29)24(31-3)26(30)15-17-28(18-16-26)20-21-9-7-6-8-10-21/h6-14,24,30H,4-5,15-20H2,1-3H3
InChIKeyZNPHOABGZWNZIG-UHFFFAOYSA-N
XLogP3.87
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
1-benzyl-4-[2-[4-(2-cyclopropylethoxy)-N-methylanilino]ethyl]piperidin-4-ol;dihydrochloride
CID 21300713
heptyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044646
ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate
CID 134109409
4-(4-butoxyphenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 10994203
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
methyl 1-benzyl-4-[2-oxo-2-(N-phenylanilino)ethyl]piperidine-4-carboxylate
CID 170355482
1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride
CID 21300710
ethyl 1-benzyl-4-[hydroxy(methoxy)methyl]piperidine-4-carboxylate
CID 163783877
2-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 18536272

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide?
The IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide (CID 21300923) is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide?
The canonical SMILES for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide is CCCCOc1ccc(N(C)C(=O)C(OC)C2(O)CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide?
The InChIKey is ZNPHOABGZWNZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-4-5-19-32-23-13-11-22(12-14-23)27(2)25(29)24(31-3)26(30)15-17-28(18-16-26)20-21-9-7-6-8-10-21/h6-14,24,30H,4-5,15-20H2,1-3H3.
What are the key properties of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide?
2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide has a molecular weight of 440.58 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide is sourced from PubChem (CID 21300923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).