2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C15H20Cl2N4O3 — CID 78840802

IUPAC2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1)N1CCOCC1
InChIInChI=1S/C15H20Cl2N4O3/c16-11-9-12(18-14(11)17)15(23)21-3-1-19(2-4-21)10-13(22)20-5-7-24-8-6-20/h9,18H,1-8,10H2
InChIKeyGBMHPWOKGJHAIO-UHFFFAOYSA-N
MW375.26 g/mol
LogP0.94
Rot. Bonds3

About 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 78840802) has the molecular formula C15H20Cl2N4O3 and a molecular weight of 375.26 g/mol. Its IUPAC name is 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID78840802
Molecular FormulaC15H20Cl2N4O3
Molecular Weight375.26 g/mol
Exact Mass374.09
IUPAC Name2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1)N1CCOCC1
InChIInChI=1S/C15H20Cl2N4O3/c16-11-9-12(18-14(11)17)15(23)21-3-1-19(2-4-21)10-13(22)20-5-7-24-8-6-20/h9,18H,1-8,10H2
InChIKeyGBMHPWOKGJHAIO-UHFFFAOYSA-N
XLogP0.94
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 78882209
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973
(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78833649
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802162
1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17402282
2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78800961
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801
(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 78862378
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 46548530

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 78840802) is 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is GBMHPWOKGJHAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4O3/c16-11-9-12(18-14(11)17)15(23)21-3-1-19(2-4-21)10-13(22)20-5-7-24-8-6-20/h9,18H,1-8,10H2.
What are the key properties of 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 375.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 78840802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).