4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide

C24H28N2O3 — CID 108561185

IUPAC4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1)NC1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H28N2O3/c27-23(12-7-19-29-22-10-5-2-6-11-22)25-21-15-17-26(18-16-21)24(28)14-13-20-8-3-1-4-9-20/h1-6,8-11,13-14,21H,7,12,15-19H2,(H,25,27)/b14-13+
InChIKeyKYMRLAZSKGEOEE-BUHFOSPRSA-N
MW392.50 g/mol
LogP3.67
Rot. Bonds8

About 4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide

4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide (PubChem CID 108561185) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
PubChem CID108561185
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1)NC1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H28N2O3/c27-23(12-7-19-29-22-10-5-2-6-11-22)25-21-15-17-26(18-16-21)24(28)14-13-20-8-3-1-4-9-20/h1-6,8-11,13-14,21H,7,12,15-19H2,(H,25,27)/b14-13+
InChIKeyKYMRLAZSKGEOEE-BUHFOSPRSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenoxy)-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561213
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 108569437
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide
CID 108553602
4-phenoxy-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553607
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide?
The IUPAC name of 4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide (CID 108561185) is 4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide?
The canonical SMILES for 4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide is O=C(CCCOc1ccccc1)NC1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide?
The InChIKey is KYMRLAZSKGEOEE-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-23(12-7-19-29-22-10-5-2-6-11-22)25-21-15-17-26(18-16-21)24(28)14-13-20-8-3-1-4-9-20/h1-6,8-11,13-14,21H,7,12,15-19H2,(H,25,27)/b14-13+.
What are the key properties of 4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide?
4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide has a molecular weight of 392.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 108561185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).