1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone

C14H21BrN2O2S — CID 43791438

IUPAC1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NC(C)c2sccc2Br)CC1
InChIInChI=1S/C14H21BrN2O2S/c1-10(14-12(15)5-8-20-14)16-11-3-6-17(7-4-11)13(18)9-19-2/h5,8,10-11,16H,3-4,6-7,9H2,1-2H3
InChIKeyYJWZSGYHBUAQIE-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.80
Rot. Bonds5

About 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone

1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone (PubChem CID 43791438) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
PubChem CID43791438
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NC(C)c2sccc2Br)CC1
InChIInChI=1S/C14H21BrN2O2S/c1-10(14-12(15)5-8-20-14)16-11-3-6-17(7-4-11)13(18)9-19-2/h5,8,10-11,16H,3-4,6-7,9H2,1-2H3
InChIKeyYJWZSGYHBUAQIE-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43747615
1-[4-[1-(furan-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747621
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
tert-butyl N-[4-[1-(3-bromothiophen-2-yl)ethylamino]cyclohexyl]carbamate
CID 103785654
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
CID 43747569
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 103388974
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030
cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 63992476
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
1-[4-(1-cyclopropylpropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 115720109

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone (CID 43791438) is 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(NC(C)c2sccc2Br)CC1.
What is the InChIKey of 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is YJWZSGYHBUAQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-10(14-12(15)5-8-20-14)16-11-3-6-17(7-4-11)13(18)9-19-2/h5,8,10-11,16H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone?
1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 361.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 43791438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).