ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate

C18H27N3O3S — CID 71801932

IUPACethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CCC(c3cccs3)CC2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-24-18(23)21-11-9-20(10-12-21)17(22)14-19-7-5-15(6-8-19)16-4-3-13-25-16/h3-4,13,15H,2,5-12,14H2,1H3
InChIKeyONGXZFPYVYIMLA-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.23
Rot. Bonds4

About ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate (PubChem CID 71801932) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate
PubChem CID71801932
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Nameethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CCC(c3cccs3)CC2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-24-18(23)21-11-9-20(10-12-21)17(22)14-19-7-5-15(6-8-19)16-4-3-13-25-16/h3-4,13,15H,2,5-12,14H2,1H3
InChIKeyONGXZFPYVYIMLA-UHFFFAOYSA-N
XLogP2.23
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(2-(thiophen-2-yl)cyclopropanecarbonyl)piperazine-1-carboxylate
CID 45588024
2-Cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 46152863
N~1~-{2-[4-(2-Methoxyethyl)piperidino]-2-oxoethyl}-N~1~-methyl-2-(2-thienyl)acetamide
CID 53151068
Methyl (2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)carbamate
CID 71787067
1-(4-Benzylpiperidin-1-yl)-2-(4-(thiophen-2-yl)piperidin-1-yl)ethanone
CID 71801931
Ethyl 4-[1-(thiophen-2-yl)cyclopentanecarbonyl]piperazine-1-carboxylate
CID 42435345
Ethyl 4-{1-[4-(2-thienyl)butanoyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45182917
ethyl 4-{1-[(2E)-3-(2-thienyl)-2-propenoyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45183119
1-Methyl-4-{3-[1-(2-thienylacetyl)-3-piperidinyl]propanoyl}piperazine
CID 45237800
Ethyl 4-{1-[(3-methyl-2-thienyl)methyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45243433
Tert-butyl 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 45847066
N1-(2-methoxyethyl)-N2-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)oxalamide
CID 71787123

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate (CID 71801932) is ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN2CCC(c3cccs3)CC2)CC1.
What is the InChIKey of ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is ONGXZFPYVYIMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-24-18(23)21-11-9-20(10-12-21)17(22)14-19-7-5-15(6-8-19)16-4-3-13-25-16/h3-4,13,15H,2,5-12,14H2,1H3.
What are the key properties of ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 365.50 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 71801932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).