N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide

C19H28N2O4 — CID 178082826

IUPACN-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide
SMILESCCC(=O)C1CCN(c2ccc(C(=O)NCCOCCO)cc2)CC1
InChIInChI=1S/C19H28N2O4/c1-2-18(23)15-7-10-21(11-8-15)17-5-3-16(4-6-17)19(24)20-9-13-25-14-12-22/h3-6,15,22H,2,7-14H2,1H3,(H,20,24)
InChIKeyQSYDSMJWOMMOSF-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.62
Rot. Bonds9

About N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide

N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide (PubChem CID 178082826) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide
PubChem CID178082826
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide
SMILESCCC(=O)C1CCN(c2ccc(C(=O)NCCOCCO)cc2)CC1
InChIInChI=1S/C19H28N2O4/c1-2-18(23)15-7-10-21(11-8-15)17-5-3-16(4-6-17)19(24)20-9-13-25-14-12-22/h3-6,15,22H,2,7-14H2,1H3,(H,20,24)
InChIKeyQSYDSMJWOMMOSF-UHFFFAOYSA-N
XLogP1.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide (CID 178082826) is N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide is CCC(=O)C1CCN(c2ccc(C(=O)NCCOCCO)cc2)CC1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide?
The InChIKey is QSYDSMJWOMMOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-2-18(23)15-7-10-21(11-8-15)17-5-3-16(4-6-17)19(24)20-9-13-25-14-12-22/h3-6,15,22H,2,7-14H2,1H3,(H,20,24).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide?
N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide has a molecular weight of 348.44 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide is sourced from PubChem (CID 178082826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).