[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone

C19H23BrN4O2S — CID 17431619

IUPAC[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(N2CCOCC2)ccn1)N1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C19H23BrN4O2S/c20-18-2-1-16(27-18)14-22-5-7-24(8-6-22)19(25)17-13-15(3-4-21-17)23-9-11-26-12-10-23/h1-4,13H,5-12,14H2
InChIKeyOXVLLZYYEAJMDE-UHFFFAOYSA-N
MW451.39 g/mol
LogP2.70
Rot. Bonds4

About [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone

[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone (PubChem CID 17431619) has the molecular formula C19H23BrN4O2S and a molecular weight of 451.39 g/mol. Its IUPAC name is [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
PubChem CID17431619
Molecular FormulaC19H23BrN4O2S
Molecular Weight451.39 g/mol
Exact Mass450.07
IUPAC Name[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(N2CCOCC2)ccn1)N1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C19H23BrN4O2S/c20-18-2-1-16(27-18)14-22-5-7-24(8-6-22)19(25)17-13-15(3-4-21-17)23-9-11-26-12-10-23/h1-4,13H,5-12,14H2
InChIKeyOXVLLZYYEAJMDE-UHFFFAOYSA-N
XLogP2.70
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)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

1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 55529250
(3-aminophenyl)-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 119832810
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 51177010
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 8624033
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 78808845
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-chloro-2-fluorophenyl)methanone
CID 55415388
(4-morpholin-4-yl-2-pyridinyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 136534504
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(2-iodophenyl)methanone
CID 55359553
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
CID 9489775
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 51177001

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The IUPAC name of [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone (CID 17431619) is [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone.
What is the SMILES notation for [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The canonical SMILES for [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone is O=C(c1cc(N2CCOCC2)ccn1)N1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The InChIKey is OXVLLZYYEAJMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2S/c20-18-2-1-16(27-18)14-22-5-7-24(8-6-22)19(25)17-13-15(3-4-21-17)23-9-11-26-12-10-23/h1-4,13H,5-12,14H2.
What are the key properties of [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone has a molecular weight of 451.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone is sourced from PubChem (CID 17431619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).