(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone

C14H22N2O3S — CID 61109278

IUPAC(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
SMILESCCOCCOC1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-18-8-9-19-11-3-6-16(7-4-11)14(17)13-12(15)5-10-20-13/h5,10-11H,2-4,6-9,15H2,1H3
InChIKeyPGRIESBPQVLHCN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.99
Rot. Bonds6

About (3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone

(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone (PubChem CID 61109278) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
PubChem CID61109278
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
SMILESCCOCCOC1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-18-8-9-19-11-3-6-16(7-4-11)14(17)13-12(15)5-10-20-13/h5,10-11H,2-4,6-9,15H2,1H3
InChIKeyPGRIESBPQVLHCN-UHFFFAOYSA-N
XLogP1.99
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109090
(2-amino-1,3-thiazol-4-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 62788073
(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61115182
(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166059
[4-(2-bromoethoxy)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone
CID 82701558
1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60775999
4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 61109752
[4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 112733485
(5-bromo-4-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79917874
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 61105540
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61109066

Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone (CID 61109278) is (3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone is CCOCCOC1CCN(C(=O)c2sccc2N)CC1.
What is the InChIKey of (3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is PGRIESBPQVLHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-18-8-9-19-11-3-6-16(7-4-11)14(17)13-12(15)5-10-20-13/h5,10-11H,2-4,6-9,15H2,1H3.
What are the key properties of (3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 298.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 61109278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).