2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide

C18H26N2O2 — CID 110425035

IUPAC2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c21-18(14-17-6-2-5-13-22-17)19-15-7-9-16(10-8-15)20-11-3-1-4-12-20/h7-10,17H,1-6,11-14H2,(H,19,21)
InChIKeyWRIWBYKMBJTXBK-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.57
Rot. Bonds4

About 2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide

2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 110425035) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID110425035
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c21-18(14-17-6-2-5-13-22-17)19-15-7-9-16(10-8-15)20-11-3-1-4-12-20/h7-10,17H,1-6,11-14H2,(H,19,21)
InChIKeyWRIWBYKMBJTXBK-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110627164
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110605644
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621086
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613190
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
N-(2,6-dipyrrolidin-1-ylphenyl)-2-(oxolan-2-yl)acetamide
CID 56786552
N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 95620224

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 110425035) is 2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CC1CCCCO1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is WRIWBYKMBJTXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(14-17-6-2-5-13-22-17)19-15-7-9-16(10-8-15)20-11-3-1-4-12-20/h7-10,17H,1-6,11-14H2,(H,19,21).
What are the key properties of 2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110425035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).