[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone

C13H20N2O2S — CID 81119549

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)N2CCCC(C(C)N)C2)c1
InChIInChI=1S/C13H20N2O2S/c1-9(14)10-4-3-5-15(7-10)13(16)12-6-11(17-2)8-18-12/h6,8-10H,3-5,7,14H2,1-2H3
InChIKeyFQISZGAKLTXRRF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.96
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone (PubChem CID 81119549) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
PubChem CID81119549
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)N2CCCC(C(C)N)C2)c1
InChIInChI=1S/C13H20N2O2S/c1-9(14)10-4-3-5-15(7-10)13(16)12-6-11(17-2)8-18-12/h6,8-10H,3-5,7,14H2,1-2H3
InChIKeyFQISZGAKLTXRRF-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491500
[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 103720299
1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 79461060
N-(2-aminoethyl)-1-(4-methoxythiophene-2-carbonyl)piperidine-3-carboxamide
CID 81121460
[3-(1-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537476
[3-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119595513
[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
CID 119596426
[3-(1-aminoethyl)piperidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone;hydrochloride
CID 119593805
[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119595140

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone (CID 81119549) is [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)N2CCCC(C(C)N)C2)c1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
The InChIKey is FQISZGAKLTXRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(14)10-4-3-5-15(7-10)13(16)12-6-11(17-2)8-18-12/h6,8-10H,3-5,7,14H2,1-2H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone has a molecular weight of 268.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81119549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).