prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate

C18H22N2O5 — CID 108559049

IUPACprop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)c2cccc(OC(C)=O)c2)CC1
InChIInChI=1S/C18H22N2O5/c1-3-11-24-18(23)20-9-7-15(8-10-20)19-17(22)14-5-4-6-16(12-14)25-13(2)21/h3-6,12,15H,1,7-11H2,2H3,(H,19,22)
InChIKeyKYEOVBUMBRLAJQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.13
Rot. Bonds5

About prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate

prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108559049) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID108559049
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nameprop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)c2cccc(OC(C)=O)c2)CC1
InChIInChI=1S/C18H22N2O5/c1-3-11-24-18(23)20-9-7-15(8-10-20)19-17(22)14-5-4-6-16(12-14)25-13(2)21/h3-6,12,15H,1,7-11H2,2H3,(H,19,22)
InChIKeyKYEOVBUMBRLAJQ-UHFFFAOYSA-N
XLogP2.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[[1-[(E)-3-cyclopropylbut-2-enoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927579
[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108555308
[3-[[1-(2-cyclohexylacetyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927513
[3-[[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108559036
[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548503
[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108549433
prop-2-enyl (3R)-3-[(3-chlorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 129047500
[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548529
[3-[[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927489
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
[3-[[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548568
[3-[[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927499

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate (CID 108559049) is prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate is C=CCOC(=O)N1CCC(NC(=O)c2cccc(OC(C)=O)c2)CC1.
What is the InChIKey of prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is KYEOVBUMBRLAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-3-11-24-18(23)20-9-7-15(8-10-20)19-17(22)14-5-4-6-16(12-14)25-13(2)21/h3-6,12,15H,1,7-11H2,2H3,(H,19,22).
What are the key properties of prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate?
prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108559049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).