N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide

C19H28N2O3 — CID 110613190

IUPACN-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide
SMILESCOc1ccc(N2CCCCC2)cc1NC(=O)CC1CCCCO1
InChIInChI=1S/C19H28N2O3/c1-23-18-9-8-15(21-10-4-2-5-11-21)13-17(18)20-19(22)14-16-7-3-6-12-24-16/h8-9,13,16H,2-7,10-12,14H2,1H3,(H,20,22)
InChIKeyHKNGPSKAPINYPE-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.58
Rot. Bonds5

About N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide

N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide (PubChem CID 110613190) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide
PubChem CID110613190
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide
SMILESCOc1ccc(N2CCCCC2)cc1NC(=O)CC1CCCCO1
InChIInChI=1S/C19H28N2O3/c1-23-18-9-8-15(21-10-4-2-5-11-21)13-17(18)20-19(22)14-16-7-3-6-12-24-16/h8-9,13,16H,2-7,10-12,14H2,1H3,(H,20,22)
InChIKeyHKNGPSKAPINYPE-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 110361978
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-(2-methoxy-5-piperidin-1-ylphenyl)cyclobutanecarboxamide
CID 110426214
N-(2-methoxy-5-piperidin-1-ylphenyl)pentanamide
CID 110359665
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide
CID 110613161
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110613173
2-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)acetamide
CID 110362005
2-cyclopropyl-N-(2-methoxy-5-piperidin-1-ylphenyl)propanamide
CID 110613175
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
3,5-dimethoxy-N-(2-methoxy-5-piperidin-1-ylphenyl)benzamide
CID 110359680

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide (CID 110613190) is N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide is COc1ccc(N2CCCCC2)cc1NC(=O)CC1CCCCO1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide?
The InChIKey is HKNGPSKAPINYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-18-9-8-15(21-10-4-2-5-11-21)13-17(18)20-19(22)14-16-7-3-6-12-24-16/h8-9,13,16H,2-7,10-12,14H2,1H3,(H,20,22).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide?
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110613190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).