(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone

C11H14Cl2N2OS — CID 103821494

IUPAC(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCC1CC(N)CCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2OS/c1-6-4-7(14)2-3-15(6)11(16)8-5-9(12)17-10(8)13/h5-7H,2-4,14H2,1H3
InChIKeyFGXBRLBRRBQTQB-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.01
Rot. Bonds1

About (4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone

(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 103821494) has the molecular formula C11H14Cl2N2OS and a molecular weight of 293.22 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID103821494
Molecular FormulaC11H14Cl2N2OS
Molecular Weight293.22 g/mol
Exact Mass292.02
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCC1CC(N)CCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2OS/c1-6-4-7(14)2-3-15(6)11(16)8-5-9(12)17-10(8)13/h5-7H,2-4,14H2,1H3
InChIKeyFGXBRLBRRBQTQB-UHFFFAOYSA-N
XLogP3.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124689802
(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
CID 113284360
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124691606
[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 103805040
(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119482772
1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 47415559
(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103807093
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576206
5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103821481
(4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone
CID 104872612
(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115369691
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone
CID 124691936

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone (CID 103821494) is (4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone is CC1CC(N)CCN1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is FGXBRLBRRBQTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS/c1-6-4-7(14)2-3-15(6)11(16)8-5-9(12)17-10(8)13/h5-7H,2-4,14H2,1H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 293.22 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 103821494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).