(4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone

C16H27N3OS — CID 61115940

IUPAC(4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)c2cc(N)c(C)s2)CC1
InChIInChI=1S/C16H27N3OS/c1-4-18(5-2)11-13-6-8-19(9-7-13)16(20)15-10-14(17)12(3)21-15/h10,13H,4-9,11,17H2,1-3H3
InChIKeyPJQQVJXMDRNKOK-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.83
Rot. Bonds5

About (4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone

(4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 61115940) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
PubChem CID61115940
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name(4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)c2cc(N)c(C)s2)CC1
InChIInChI=1S/C16H27N3OS/c1-4-18(5-2)11-13-6-8-19(9-7-13)16(20)15-10-14(17)12(3)21-15/h10,13H,4-9,11,17H2,1-3H3
InChIKeyPJQQVJXMDRNKOK-UHFFFAOYSA-N
XLogP2.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-5-methylthiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61115746
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998
(4-amino-5-methylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796719
(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 63624400
(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109090
(5-amino-2-methylphenyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 120642745
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-5-methylthiophen-2-yl)methanone
CID 61103279
(4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210666
(4,5-dibromothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 78968328
4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
CID 61109172
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 61102350

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone (CID 61115940) is (4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone is CCN(CC)CC1CCN(C(=O)c2cc(N)c(C)s2)CC1.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is PJQQVJXMDRNKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-18(5-2)11-13-6-8-19(9-7-13)16(20)15-10-14(17)12(3)21-15/h10,13H,4-9,11,17H2,1-3H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
(4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 309.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61115940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).