ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate

C20H24N2O4S — CID 24733664

IUPACethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(Oc2cccc(-c3cccs3)c2)CC1
InChIInChI=1S/C20H24N2O4S/c1-2-25-19(23)14-21-20(24)22-10-8-16(9-11-22)26-17-6-3-5-15(13-17)18-7-4-12-27-18/h3-7,12-13,16H,2,8-11,14H2,1H3,(H,21,24)
InChIKeyVZHBNPUIKMBJLD-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.53
Rot. Bonds6

About ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate (PubChem CID 24733664) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate
PubChem CID24733664
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Nameethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(Oc2cccc(-c3cccs3)c2)CC1
InChIInChI=1S/C20H24N2O4S/c1-2-25-19(23)14-21-20(24)22-10-8-16(9-11-22)26-17-6-3-5-15(13-17)18-7-4-12-27-18/h3-7,12-13,16H,2,8-11,14H2,1H3,(H,21,24)
InChIKeyVZHBNPUIKMBJLD-UHFFFAOYSA-N
XLogP3.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide
CID 24733655
ethyl 2-[[4-[3-[[3-methyl-2-phenyl-5-(trifluoromethoxy)benzoyl]amino]phenoxy]piperidine-1-carbonyl]amino]acetate
CID 91310381
4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide
CID 24733760
(3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
CID 99830067
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide
CID 122557673
ethyl 2-[[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]amino]acetate
CID 25377875
ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
CID 20907546
1-[4-(3-chlorophenoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110356932
3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole
CID 24733645
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
ethyl (3S)-3-amino-3-(3-thiophen-2-ylphenyl)propanoate
CID 140935860

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate (CID 24733664) is ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC(Oc2cccc(-c3cccs3)c2)CC1.
What is the InChIKey of ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate?
The InChIKey is VZHBNPUIKMBJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-25-19(23)14-21-20(24)22-10-8-16(9-11-22)26-17-6-3-5-15(13-17)18-7-4-12-27-18/h3-7,12-13,16H,2,8-11,14H2,1H3,(H,21,24).
What are the key properties of ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate has a molecular weight of 388.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 24733664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).