N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide

C18H26N2O3 — CID 108561273

IUPACN-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
SMILESCC(=O)N1CCC(NC(=O)CCCOc2ccccc2C)CC1
InChIInChI=1S/C18H26N2O3/c1-14-6-3-4-7-17(14)23-13-5-8-18(22)19-16-9-11-20(12-10-16)15(2)21/h3-4,6-7,16H,5,8-13H2,1-2H3,(H,19,22)
InChIKeyHXOQMGHCKNEJND-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.28
Rot. Bonds6

About N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide

N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide (PubChem CID 108561273) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
PubChem CID108561273
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
SMILESCC(=O)N1CCC(NC(=O)CCCOc2ccccc2C)CC1
InChIInChI=1S/C18H26N2O3/c1-14-6-3-4-7-17(14)23-13-5-8-18(22)19-16-9-11-20(12-10-16)15(2)21/h3-4,6-7,16H,5,8-13H2,1-2H3,(H,19,22)
InChIKeyHXOQMGHCKNEJND-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561260
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553731
4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
CID 108553741
4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 55866230
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
N-(1-acetylpiperidin-4-yl)-4-(2-bromo-4-tert-butylphenoxy)butanamide
CID 108561147

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide (CID 108561273) is N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide is CC(=O)N1CCC(NC(=O)CCCOc2ccccc2C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide?
The InChIKey is HXOQMGHCKNEJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-6-3-4-7-17(14)23-13-5-8-18(22)19-16-9-11-20(12-10-16)15(2)21/h3-4,6-7,16H,5,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide?
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 108561273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).