5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde

C21H21N3O3 — CID 157059605

IUPAC5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde
SMILESCN1CCN(C(=O)c2ccc(C3=Nc4ccc(O)c(C=O)c4C3)cc2)CC1
InChIInChI=1S/C21H21N3O3/c1-23-8-10-24(11-9-23)21(27)15-4-2-14(3-5-15)19-12-16-17(13-25)20(26)7-6-18(16)22-19/h2-7,13,26H,8-12H2,1H3
InChIKeyABECFFGCSUOPAQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.27
Rot. Bonds3

About 5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde

5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde (PubChem CID 157059605) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde
PubChem CID157059605
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde
SMILESCN1CCN(C(=O)c2ccc(C3=Nc4ccc(O)c(C=O)c4C3)cc2)CC1
InChIInChI=1S/C21H21N3O3/c1-23-8-10-24(11-9-23)21(27)15-4-2-14(3-5-15)19-12-16-17(13-25)20(26)7-6-18(16)22-19/h2-7,13,26H,8-12H2,1H3
InChIKeyABECFFGCSUOPAQ-UHFFFAOYSA-N
XLogP2.27
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(3,4-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103956223
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
2-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]naphthalene-1-carbaldehyde
CID 88947001
2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde
CID 174679409
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde?
The IUPAC name of 5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde (CID 157059605) is 5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde is CN1CCN(C(=O)c2ccc(C3=Nc4ccc(O)c(C=O)c4C3)cc2)CC1.
What is the InChIKey of 5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde?
The InChIKey is ABECFFGCSUOPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-23-8-10-24(11-9-23)21(27)15-4-2-14(3-5-15)19-12-16-17(13-25)20(26)7-6-18(16)22-19/h2-7,13,26H,8-12H2,1H3.
What are the key properties of 5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde?
5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde has a molecular weight of 363.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-indole-4-carbaldehyde is sourced from PubChem (CID 157059605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).