1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one

C14H21BrN2OS — CID 106039918

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(CCc2ccc(Br)s2)C1=O
InChIInChI=1S/C14H21BrN2OS/c1-2-8-16-12-4-3-9-17(14(12)18)10-7-11-5-6-13(15)19-11/h5-6,12,16H,2-4,7-10H2,1H3
InChIKeyAFULQERASCALNH-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.04
Rot. Bonds6

About 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one

1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one (PubChem CID 106039918) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one
PubChem CID106039918
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(CCc2ccc(Br)s2)C1=O
InChIInChI=1S/C14H21BrN2OS/c1-2-8-16-12-4-3-9-17(14(12)18)10-7-11-5-6-13(15)19-11/h5-6,12,16H,2-4,7-10H2,1H3
InChIKeyAFULQERASCALNH-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one
CID 114139676
1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine
CID 114139701
1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one
CID 114152228
1-(4-methylsulfanylbutyl)-3-(propylamino)piperidin-2-one
CID 113488293
1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 54973475
1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
CID 115408790
1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 106106502
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106039892
1-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-2-one
CID 130885927
1-[(1-methylcyclopentyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 55261019
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592209
1-(cyclohexylmethyl)-3-(propylamino)pyrrolidin-2-one
CID 54972766

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one (CID 106039918) is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one is CCCNC1CCCN(CCc2ccc(Br)s2)C1=O.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one?
The InChIKey is AFULQERASCALNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-2-8-16-12-4-3-9-17(14(12)18)10-7-11-5-6-13(15)19-11/h5-6,12,16H,2-4,7-10H2,1H3.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one?
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one has a molecular weight of 345.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 106039918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).