1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide

C34H39N5O5 — CID 135151558

IUPAC1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide
SMILESCCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(C(=O)NNC(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C34H39N5O5/c1-4-26(40)10-7-15-38-16-17-39(32(41)20-28-22(2)35-30-14-13-27(44-3)19-29(28)30)31(21-38)34(43)37-36-33(42)25-12-11-23-8-5-6-9-24(23)18-25/h5-6,8-9,11-14,18-19,31,35H,4,7,10,15-17,20-21H2,1-3H3,(H,36,42)(H,37,43)
InChIKeyGKOUMVKXIQSYHP-UHFFFAOYSA-N
MW597.72 g/mol
LogP3.91
Rot. Bonds10

About 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide

1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide (PubChem CID 135151558) has the molecular formula C34H39N5O5 and a molecular weight of 597.72 g/mol. Its IUPAC name is 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide.

Molecular Properties

Compound Name1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide
PubChem CID135151558
Molecular FormulaC34H39N5O5
Molecular Weight597.72 g/mol
Exact Mass597.30
IUPAC Name1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide
SMILESCCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(C(=O)NNC(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C34H39N5O5/c1-4-26(40)10-7-15-38-16-17-39(32(41)20-28-22(2)35-30-14-13-27(44-3)19-29(28)30)31(21-38)34(43)37-36-33(42)25-12-11-23-8-5-6-9-24(23)18-25/h5-6,8-9,11-14,18-19,31,35H,4,7,10,15-17,20-21H2,1-3H3,(H,36,42)(H,37,43)
InChIKeyGKOUMVKXIQSYHP-UHFFFAOYSA-N
XLogP3.91
TPSA123.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.72
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one
CID 135151448
1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212097
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide
CID 67268443
1-(4-acetylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212099
(7S)-7-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-7-(3-naphthalen-2-yl-1H-1,2,4-triazol-5-yl)heptanoic acid
CID 67267807
(2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-naphthalen-2-ylethyl)-8-oxononanamide
CID 69317966
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212148
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide
CID 67268137
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]acetamide
CID 73057225
2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 146449426
[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid
CID 67268811
3-[2-[(1S)-1-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-7-oxononyl]-1H-imidazol-3-ium-5-yl]-N-methylsulfonylbenzamide;2,2,2-trifluoroacetate
CID 67268714

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide?
The IUPAC name of 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide (CID 135151558) is 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide.
What is the SMILES notation for 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide?
The canonical SMILES for 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide is CCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(C(=O)NNC(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide?
The InChIKey is GKOUMVKXIQSYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O5/c1-4-26(40)10-7-15-38-16-17-39(32(41)20-28-22(2)35-30-14-13-27(44-3)19-29(28)30)31(21-38)34(43)37-36-33(42)25-12-11-23-8-5-6-9-24(23)18-25/h5-6,8-9,11-14,18-19,31,35H,4,7,10,15-17,20-21H2,1-3H3,(H,36,42)(H,37,43).
What are the key properties of 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide?
1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide has a molecular weight of 597.72 g/mol, XLogP of 3.91, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N'-(naphthalene-2-carbonyl)-4-(4-oxohexyl)piperazine-2-carbohydrazide is sourced from PubChem (CID 135151558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).