(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone

C17H20N2O2S — CID 119375235

IUPAC(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone
SMILESCOc1cc(-c2ccccc2)sc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C17H20N2O2S/c1-21-14-11-15(12-5-3-2-4-6-12)22-16(14)17(20)19-9-7-13(18)8-10-19/h2-6,11,13H,7-10,18H2,1H3
InChIKeyXRCQTERQGIZTBV-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.99
Rot. Bonds3

About (4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone

(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone (PubChem CID 119375235) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone
PubChem CID119375235
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone
SMILESCOc1cc(-c2ccccc2)sc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C17H20N2O2S/c1-21-14-11-15(12-5-3-2-4-6-12)22-16(14)17(20)19-9-7-13(18)8-10-19/h2-6,11,13H,7-10,18H2,1H3
InChIKeyXRCQTERQGIZTBV-UHFFFAOYSA-N
XLogP2.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119379893
[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119595140
(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578955
(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 68628444
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone
CID 55824955
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4R)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062903
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062901
3-methoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452328
phenyl 3-methoxy-5-phenylthiophene-2-carboxylate
CID 139631603
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone
CID 126790939
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3-ethoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119635171

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone (CID 119375235) is (4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone is COc1cc(-c2ccccc2)sc1C(=O)N1CCC(N)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone?
The InChIKey is XRCQTERQGIZTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-21-14-11-15(12-5-3-2-4-6-12)22-16(14)17(20)19-9-7-13(18)8-10-19/h2-6,11,13H,7-10,18H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone?
(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone has a molecular weight of 316.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 119375235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).