N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide

C19H27N5O3 — CID 98231836

IUPACN'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
SMILESCN1CCN(CCCNC(=O)C(=O)N[C@H]2C(=O)N(C)c3ccccc32)CC1
InChIInChI=1S/C19H27N5O3/c1-22-10-12-24(13-11-22)9-5-8-20-17(25)18(26)21-16-14-6-3-4-7-15(14)23(2)19(16)27/h3-4,6-7,16H,5,8-13H2,1-2H3,(H,20,25)(H,21,26)/t16-/m1/s1
InChIKeyIMXZXBNPQHUOBF-MRXNPFEDSA-N
MW373.46 g/mol
LogP-0.43
Rot. Bonds5

About N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide

N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide (PubChem CID 98231836) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
PubChem CID98231836
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC NameN'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
SMILESCN1CCN(CCCNC(=O)C(=O)N[C@H]2C(=O)N(C)c3ccccc32)CC1
InChIInChI=1S/C19H27N5O3/c1-22-10-12-24(13-11-22)9-5-8-20-17(25)18(26)21-16-14-6-3-4-7-15(14)23(2)19(16)27/h3-4,6-7,16H,5,8-13H2,1-2H3,(H,20,25)(H,21,26)/t16-/m1/s1
InChIKeyIMXZXBNPQHUOBF-MRXNPFEDSA-N
XLogP-0.43
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40947557
N-[3-(diethylamino)propyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 29075014
N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 51608498
N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 98209770
N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51971306
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 41025250
N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide
CID 51972137
N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(2-methoxyethyl)oxamide
CID 41024850
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
3-(butylamino)-1-methyl-3H-indol-2-one
CID 82238881
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide?
The IUPAC name of N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide (CID 98231836) is N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide?
The canonical SMILES for N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide is CN1CCN(CCCNC(=O)C(=O)N[C@H]2C(=O)N(C)c3ccccc32)CC1.
What is the InChIKey of N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide?
The InChIKey is IMXZXBNPQHUOBF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-22-10-12-24(13-11-22)9-5-8-20-17(25)18(26)21-16-14-6-3-4-7-15(14)23(2)19(16)27/h3-4,6-7,16H,5,8-13H2,1-2H3,(H,20,25)(H,21,26)/t16-/m1/s1.
What are the key properties of N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide?
N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide has a molecular weight of 373.46 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide is sourced from PubChem (CID 98231836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).