4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one

C20H21N3O3 — CID 167988048

IUPAC4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one
SMILESO=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCN(CCO)CC1
InChIInChI=1S/C20H21N3O3/c24-13-12-22-8-10-23(11-9-22)20(26)16-6-3-5-15-18(16)21-17-7-2-1-4-14(17)19(15)25/h1-7,24H,8-13H2,(H,21,25)
InChIKeyCBVXSSLZQZANPC-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.43
Rot. Bonds3

About 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one

4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one (PubChem CID 167988048) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one
PubChem CID167988048
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one
SMILESO=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCN(CCO)CC1
InChIInChI=1S/C20H21N3O3/c24-13-12-22-8-10-23(11-9-22)20(26)16-6-3-5-15-18(16)21-17-7-2-1-4-14(17)19(15)25/h1-7,24H,8-13H2,(H,21,25)
InChIKeyCBVXSSLZQZANPC-UHFFFAOYSA-N
XLogP1.43
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one
CID 155944574
3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 78854271
(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 114343978
(2,3-dimethyl-1H-indol-7-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 72848556
2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzoic acid
CID 107214390
4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110701165
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501
[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 82090858
2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile
CID 82179354
2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]ethanethioamide
CID 94805632
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one (CID 167988048) is 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one is O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCN(CCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one?
The InChIKey is CBVXSSLZQZANPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-13-12-22-8-10-23(11-9-22)20(26)16-6-3-5-15-18(16)21-17-7-2-1-4-14(17)19(15)25/h1-7,24H,8-13H2,(H,21,25).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one?
4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one has a molecular weight of 351.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one is sourced from PubChem (CID 167988048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).