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

C11H14Cl2N2OS — CID 103807093

IUPAC(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)sc2Cl)CCC1N
InChIInChI=1S/C11H14Cl2N2OS/c1-6-5-15(3-2-8(6)14)11(16)7-4-9(12)17-10(7)13/h4,6,8H,2-3,5,14H2,1H3
InChIKeySPKIPSLUNBLOJR-UHFFFAOYSA-N
MW293.22 g/mol
LogP2.86
Rot. Bonds1

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

(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 103807093) has the molecular formula C11H14Cl2N2OS and a molecular weight of 293.22 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID103807093
Molecular FormulaC11H14Cl2N2OS
Molecular Weight293.22 g/mol
Exact Mass292.02
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)sc2Cl)CCC1N
InChIInChI=1S/C11H14Cl2N2OS/c1-6-5-15(3-2-8(6)14)11(16)7-4-9(12)17-10(7)13/h4,6,8H,2-3,5,14H2,1H3
InChIKeySPKIPSLUNBLOJR-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(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
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754
(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 103806964
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 103807096
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119592450
(4-amino-3-methylpiperidin-1-yl)-(5-chloro-2-iodophenyl)methanone;hydrochloride
CID 119592350
[4-(1-chloroethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966408
[4-(1-bromoethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966411
(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 79868336
(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81266324
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103821494

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone (CID 103807093) is (4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone is CC1CN(C(=O)c2cc(Cl)sc2Cl)CCC1N.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is SPKIPSLUNBLOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS/c1-6-5-15(3-2-8(6)14)11(16)7-4-9(12)17-10(7)13/h4,6,8H,2-3,5,14H2,1H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone?
(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 293.22 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 103807093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).