N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide

C16H23N3O3 — CID 135433303

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide
SMILESCOc1cc(/C=N/NC(=O)CCN2CCCCC2)ccc1O
InChIInChI=1S/C16H23N3O3/c1-22-15-11-13(5-6-14(15)20)12-17-18-16(21)7-10-19-8-3-2-4-9-19/h5-6,11-12,20H,2-4,7-10H2,1H3,(H,18,21)/b17-12+
InChIKeyHAKSHJLLSPIBFO-SFQUDFHCSA-N
MW305.38 g/mol
LogP1.73
Rot. Bonds6

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide (PubChem CID 135433303) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide
PubChem CID135433303
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide
SMILESCOc1cc(/C=N/NC(=O)CCN2CCCCC2)ccc1O
InChIInChI=1S/C16H23N3O3/c1-22-15-11-13(5-6-14(15)20)12-17-18-16(21)7-10-19-8-3-2-4-9-19/h5-6,11-12,20H,2-4,7-10H2,1H3,(H,18,21)/b17-12+
InChIKeyHAKSHJLLSPIBFO-SFQUDFHCSA-N
XLogP1.73
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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 N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide (CID 135433303) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide is COc1cc(/C=N/NC(=O)CCN2CCCCC2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide?
The InChIKey is HAKSHJLLSPIBFO-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-15-11-13(5-6-14(15)20)12-17-18-16(21)7-10-19-8-3-2-4-9-19/h5-6,11-12,20H,2-4,7-10H2,1H3,(H,18,21)/b17-12+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide has a molecular weight of 305.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 135433303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).