[7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone

C15H18N4O2 — CID 143094566

IUPAC[7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(/C=N\O)c3[nH]ccc23)CC1
InChIInChI=1S/C15H18N4O2/c1-18-6-8-19(9-7-18)15(20)13-3-2-11(10-17-21)14-12(13)4-5-16-14/h2-5,10,16,21H,6-9H2,1H3/b17-10-
InChIKeyXNQPNTPZVGRBHH-YVLHZVERSA-N
MW286.33 g/mol
LogP1.36
Rot. Bonds2

About [7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone

[7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 143094566) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID143094566
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(/C=N\O)c3[nH]ccc23)CC1
InChIInChI=1S/C15H18N4O2/c1-18-6-8-19(9-7-18)15(20)13-3-2-11(10-17-21)14-12(13)4-5-16-14/h2-5,10,16,21H,6-9H2,1H3/b17-10-
InChIKeyXNQPNTPZVGRBHH-YVLHZVERSA-N
XLogP1.36
TPSA71.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 134258787
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
CID 103763244
6-methyl-4-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121338202
(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
CID 78852296
[2-fluoro-5-(methyliminomethyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 137412313
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
4-acetyl-6-(4-methylpiperazine-1-carbonyl)benzene-1,3-dicarboxylic acid
CID 58794660
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(2-chloro-3,4-dihydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 19880175

Frequently Asked Questions

What is the IUPAC name of [7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 143094566) is [7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(/C=N\O)c3[nH]ccc23)CC1.
What is the InChIKey of [7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XNQPNTPZVGRBHH-YVLHZVERSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-6-8-19(9-7-18)15(20)13-3-2-11(10-17-21)14-12(13)4-5-16-14/h2-5,10,16,21H,6-9H2,1H3/b17-10-.
What are the key properties of [7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 143094566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).