ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate

C18H28N2O3S — CID 141479973

IUPACethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate
SMILESCCOC(=O)C(CC)C1CCN[C@H](C(=O)Nc2c(C)csc2C)C1
InChIInChI=1S/C18H28N2O3S/c1-5-14(18(22)23-6-2)13-7-8-19-15(9-13)17(21)20-16-11(3)10-24-12(16)4/h10,13-15,19H,5-9H2,1-4H3,(H,20,21)/t13?,14?,15-/m0/s1
InChIKeyMGQIOSAJNZEUQK-NRXISQOPSA-N
MW352.50 g/mol
LogP3.26
Rot. Bonds6

About ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate

ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate (PubChem CID 141479973) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate
PubChem CID141479973
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Nameethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate
SMILESCCOC(=O)C(CC)C1CCN[C@H](C(=O)Nc2c(C)csc2C)C1
InChIInChI=1S/C18H28N2O3S/c1-5-14(18(22)23-6-2)13-7-8-19-15(9-13)17(21)20-16-11(3)10-24-12(16)4/h10,13-15,19H,5-9H2,1-4H3,(H,20,21)/t13?,14?,15-/m0/s1
InChIKeyMGQIOSAJNZEUQK-NRXISQOPSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate?
The IUPAC name of ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate (CID 141479973) is ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate.
What is the SMILES notation for ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate?
The canonical SMILES for ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate is CCOC(=O)C(CC)C1CCN[C@H](C(=O)Nc2c(C)csc2C)C1.
What is the InChIKey of ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate?
The InChIKey is MGQIOSAJNZEUQK-NRXISQOPSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-5-14(18(22)23-6-2)13-7-8-19-15(9-13)17(21)20-16-11(3)10-24-12(16)4/h10,13-15,19H,5-9H2,1-4H3,(H,20,21)/t13?,14?,15-/m0/s1.
What are the key properties of ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate?
ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate has a molecular weight of 352.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-2-[(2,4-dimethylthiophen-3-yl)carbamoyl]piperidin-4-yl]butanoate is sourced from PubChem (CID 141479973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).