N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide

C18H26N2O2 — CID 110696651

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESCC1CCN(c2ccc(NC(=O)CC3CCCO3)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-14-8-10-20(11-9-14)16-6-4-15(5-7-16)19-18(21)13-17-3-2-12-22-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyWQXQQQFHPJFRGU-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.43
Rot. Bonds4

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 110696651) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
PubChem CID110696651
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESCC1CCN(c2ccc(NC(=O)CC3CCCO3)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-14-8-10-20(11-9-14)16-6-4-15(5-7-16)19-18(21)13-17-3-2-12-22-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyWQXQQQFHPJFRGU-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110605644
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110627164
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621086
N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide
CID 113000233
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703367
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide (CID 110696651) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide is CC1CCN(c2ccc(NC(=O)CC3CCCO3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is WQXQQQFHPJFRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-8-10-20(11-9-14)16-6-4-15(5-7-16)19-18(21)13-17-3-2-12-22-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,19,21).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 110696651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).