(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

C14H19BrN2OS — CID 103832103

IUPAC(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H19BrN2OS/c15-13-7-11(9-19-13)14(18)17-6-2-3-10(8-17)12-4-1-5-16-12/h7,9-10,12,16H,1-6,8H2
InChIKeyORJYUYLUOGNVCP-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.11
Rot. Bonds2

About (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 103832103) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID103832103
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H19BrN2OS/c15-13-7-11(9-19-13)14(18)17-6-2-3-10(8-17)12-4-1-5-16-12/h7,9-10,12,16H,1-6,8H2
InChIKeyORJYUYLUOGNVCP-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone 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

(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60979101
(5-hydroxy-3-pyridinyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63851017
(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 54885904
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(3,5-dibromophenyl)methanone
CID 107973654
(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978290
(3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 54886047
(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978829
methyl 1-(5-bromothiophene-3-carbonyl)piperidine-3-carboxylate
CID 78919235
(3-bromo-5-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999382
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81294449
(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103832102

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 103832103) is (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1csc(Br)c1)N1CCCC(C2CCCN2)C1.
What is the InChIKey of (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is ORJYUYLUOGNVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c15-13-7-11(9-19-13)14(18)17-6-2-3-10(8-17)12-4-1-5-16-12/h7,9-10,12,16H,1-6,8H2.
What are the key properties of (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 343.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103832103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).