1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone

C21H26N4O3 — CID 17402282

IUPAC1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1)N1CCOCC1
InChIInChI=1S/C21H26N4O3/c26-20(24-12-14-28-15-13-24)17-22-8-10-25(11-9-22)21(27)18-4-3-5-19(16-18)23-6-1-2-7-23/h1-7,16H,8-15,17H2
InChIKeyNDZUJHJYANNMPX-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.09
Rot. Bonds4

About 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 17402282) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
PubChem CID17402282
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1)N1CCOCC1
InChIInChI=1S/C21H26N4O3/c26-20(24-12-14-28-15-13-24)17-22-8-10-25(11-9-22)21(27)18-4-3-5-19(16-18)23-6-1-2-7-23/h1-7,16H,8-15,17H2
InChIKeyNDZUJHJYANNMPX-UHFFFAOYSA-N
XLogP1.09
TPSA58.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone 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

(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 32532603
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973
2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
CID 129368099
[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72877183
(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 39346910
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 9225941
1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
CID 4558528
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone (CID 17402282) is 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is NDZUJHJYANNMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(24-12-14-28-15-13-24)17-22-8-10-25(11-9-22)21(27)18-4-3-5-19(16-18)23-6-1-2-7-23/h1-7,16H,8-15,17H2.
What are the key properties of 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17402282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).