ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate

C20H30N2O4 — CID 108880493

IUPACethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(C)Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H30N2O4/c1-5-25-19(23)17-10-12-22(13-11-17)20(24)21-15(4)26-18-8-6-16(7-9-18)14(2)3/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,21,24)
InChIKeyRWCRVPGSBJXISV-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.52
Rot. Bonds6

About ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate

ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate (PubChem CID 108880493) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate
PubChem CID108880493
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nameethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(C)Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H30N2O4/c1-5-25-19(23)17-10-12-22(13-11-17)20(24)21-15(4)26-18-8-6-16(7-9-18)14(2)3/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,21,24)
InChIKeyRWCRVPGSBJXISV-UHFFFAOYSA-N
XLogP3.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylate
CID 108880611
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 108880576
N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
CID 108880527
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-[1-(4-hydroxyphenyl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577832
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
ethyl 1-[[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 87056251
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42695560
ethyl 1-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60547795

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate (CID 108880493) is ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NC(C)Oc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate?
The InChIKey is RWCRVPGSBJXISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-5-25-19(23)17-10-12-22(13-11-17)20(24)21-15(4)26-18-8-6-16(7-9-18)14(2)3/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,21,24).
What are the key properties of ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate?
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 108880493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).