N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide

C23H28N2O3 — CID 108551285

IUPACN-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(C(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c26-22(18-19-8-3-1-4-9-19)24-20-13-15-25(16-14-20)23(27)12-7-17-28-21-10-5-2-6-11-21/h1-6,8-11,20H,7,12-18H2,(H,24,26)
InChIKeyCCKMHFGDQFYYBA-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.20
Rot. Bonds8

About N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide

N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide (PubChem CID 108551285) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
PubChem CID108551285
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(C(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c26-22(18-19-8-3-1-4-9-19)24-20-13-15-25(16-14-20)23(27)12-7-17-28-21-10-5-2-6-11-21/h1-6,8-11,20H,7,12-18H2,(H,24,26)
InChIKeyCCKMHFGDQFYYBA-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.20
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-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548165
2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108548392
4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561185
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide (CID 108551285) is N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CCN(C(=O)CCCOc2ccccc2)CC1.
What is the InChIKey of N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide?
The InChIKey is CCKMHFGDQFYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(18-19-8-3-1-4-9-19)24-20-13-15-25(16-14-20)23(27)12-7-17-28-21-10-5-2-6-11-21/h1-6,8-11,20H,7,12-18H2,(H,24,26).
What are the key properties of N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide?
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide has a molecular weight of 380.49 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 108551285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).