ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate

C16H23NO3S — CID 51681583

IUPACethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CCCc2cccs2)C1
InChIInChI=1S/C16H23NO3S/c1-2-20-16(19)13-6-4-10-17(12-13)15(18)9-3-7-14-8-5-11-21-14/h5,8,11,13H,2-4,6-7,9-10,12H2,1H3/t13-/m1/s1
InChIKeyWFMWOYWCBAMSRY-CYBMUJFWSA-N
MW309.43 g/mol
LogP2.87
Rot. Bonds6

About ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate

ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate (PubChem CID 51681583) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
PubChem CID51681583
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Nameethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CCCc2cccs2)C1
InChIInChI=1S/C16H23NO3S/c1-2-20-16(19)13-6-4-10-17(12-13)15(18)9-3-7-14-8-5-11-21-14/h5,8,11,13H,2-4,6-7,9-10,12H2,1H3/t13-/m1/s1
InChIKeyWFMWOYWCBAMSRY-CYBMUJFWSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
CID 119482155
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748
ethyl 1-[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]piperidine-3-carboxylate
CID 110993757
1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 81457987
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 91953826
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
1-[3-(4-methylbenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110394634
ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
CID 110297724
ethyl (3R)-1-[(3R,5R)-5-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 93001860
ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate
CID 110698415
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 90510988

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate (CID 51681583) is ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)CCCc2cccs2)C1.
What is the InChIKey of ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate?
The InChIKey is WFMWOYWCBAMSRY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-2-20-16(19)13-6-4-10-17(12-13)15(18)9-3-7-14-8-5-11-21-14/h5,8,11,13H,2-4,6-7,9-10,12H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate?
ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 51681583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).