prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate

C19H26N2O4 — CID 108561202

IUPACprop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C19H26N2O4/c1-2-14-25-19(23)21-12-10-16(11-13-21)20-18(22)9-6-15-24-17-7-4-3-5-8-17/h2-5,7-8,16H,1,6,9-15H2,(H,20,22)
InChIKeyNGQJTVDTHHUBII-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.75
Rot. Bonds8

About prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate

prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate (PubChem CID 108561202) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
PubChem CID108561202
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nameprop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C19H26N2O4/c1-2-14-25-19(23)21-12-10-16(11-13-21)20-18(22)9-6-15-24-17-7-4-3-5-8-17/h2-5,7-8,16H,1,6,9-15H2,(H,20,22)
InChIKeyNGQJTVDTHHUBII-UHFFFAOYSA-N
XLogP2.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561185
prop-2-enyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 108562084
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
4-phenoxy-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553607
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide
CID 108553602
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate (CID 108561202) is prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate is C=CCOC(=O)N1CCC(NC(=O)CCCOc2ccccc2)CC1.
What is the InChIKey of prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate?
The InChIKey is NGQJTVDTHHUBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-14-25-19(23)21-12-10-16(11-13-21)20-18(22)9-6-15-24-17-7-4-3-5-8-17/h2-5,7-8,16H,1,6,9-15H2,(H,20,22).
What are the key properties of prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate?
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108561202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).