2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide

C17H25N3O2 — CID 6871736

IUPAC2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-2-12-22-16-8-6-15(7-9-16)13-18-19-17(21)14-20-10-4-3-5-11-20/h6-9,13H,2-5,10-12,14H2,1H3,(H,19,21)/b18-13+
InChIKeyNXRLQRGWQLAWKZ-QGOAFFKASA-N
MW303.41 g/mol
LogP2.41
Rot. Bonds7

About 2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide

2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide (PubChem CID 6871736) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
PubChem CID6871736
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-2-12-22-16-8-6-15(7-9-16)13-18-19-17(21)14-20-10-4-3-5-11-20/h6-9,13H,2-5,10-12,14H2,1H3,(H,19,21)/b18-13+
InChIKeyNXRLQRGWQLAWKZ-QGOAFFKASA-N
XLogP2.41
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide (CID 6871736) is 2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide is CCCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1.
What is the InChIKey of 2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is NXRLQRGWQLAWKZ-QGOAFFKASA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-12-22-16-8-6-15(7-9-16)13-18-19-17(21)14-20-10-4-3-5-11-20/h6-9,13H,2-5,10-12,14H2,1H3,(H,19,21)/b18-13+.
What are the key properties of 2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6871736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).