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

C13H21N3OS — CID 61115182

IUPAC(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C13H21N3OS/c1-15(2)9-10-3-6-16(7-4-10)13(17)12-11(14)5-8-18-12/h5,8,10H,3-4,6-7,9,14H2,1-2H3
InChIKeyARYXUVCGOKIXEY-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.74
Rot. Bonds3

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

(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 61115182) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID61115182
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C13H21N3OS/c1-15(2)9-10-3-6-16(7-4-10)13(17)12-11(14)5-8-18-12/h5,8,10H,3-4,6-7,9,14H2,1-2H3
InChIKeyARYXUVCGOKIXEY-UHFFFAOYSA-N
XLogP1.74
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166059
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
(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109278
4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 61109752
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622
(2-amino-5-methoxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61114234
1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61116130
(3-aminothiophen-2-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 96578007
4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61140085
[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122977

Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 61115182) is (3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is CN(C)CC1CCN(C(=O)c2sccc2N)CC1.
What is the InChIKey of (3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is ARYXUVCGOKIXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-15(2)9-10-3-6-16(7-4-10)13(17)12-11(14)5-8-18-12/h5,8,10H,3-4,6-7,9,14H2,1-2H3.
What are the key properties of (3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 267.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 61115182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).