N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide

C29H30N4O2 — CID 91142119

IUPACN-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide
SMILESCN(C(=O)CN1CCCCC1)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C29H30N4O2/c1-32(26(34)20-33-18-8-3-9-19-33)23-16-14-22(15-17-23)30-28(21-10-4-2-5-11-21)27-24-12-6-7-13-25(24)31-29(27)35/h2,4-7,10-17,27H,3,8-9,18-20H2,1H3,(H,31,35)/b30-28+
InChIKeyQKDMKAFWJGFPIF-SJCQXOIGSA-N
MW466.59 g/mol
LogP4.99
Rot. Bonds6

About N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide

N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 91142119) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide
PubChem CID91142119
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC NameN-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide
SMILESCN(C(=O)CN1CCCCC1)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C29H30N4O2/c1-32(26(34)20-33-18-8-3-9-19-33)23-16-14-22(15-17-23)30-28(21-10-4-2-5-11-21)27-24-12-6-7-13-25(24)31-29(27)35/h2,4-7,10-17,27H,3,8-9,18-20H2,1H3,(H,31,35)/b30-28+
InChIKeyQKDMKAFWJGFPIF-SJCQXOIGSA-N
XLogP4.99
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
CID 90920764
2-[4-(2-aminoethyl)piperazin-1-yl]-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylacetamide
CID 91187464
methyl 3-[N-[4-[benzyl-(2-piperidin-1-ylacetyl)amino]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91078465
N-[4-[[[4-(aminomethyl)phenyl]-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
CID 91492392
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 90933134
N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide
CID 90985469
N-[4-[[1,3-benzodioxol-5-yl-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]-2-(dimethylamino)-N-methylacetamide
CID 90771927
2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetic acid
CID 90788794
N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
CID 57112149
2-amino-N-methyl-N-[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
CID 57215006
3-amino-N-[4-[[(5,6-diethoxy-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylpropanamide
CID 91239726
5-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-2-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]benzamide
CID 90981549

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide (CID 91142119) is N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide is CN(C(=O)CN1CCCCC1)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is QKDMKAFWJGFPIF-SJCQXOIGSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-32(26(34)20-33-18-8-3-9-19-33)23-16-14-22(15-17-23)30-28(21-10-4-2-5-11-21)27-24-12-6-7-13-25(24)31-29(27)35/h2,4-7,10-17,27H,3,8-9,18-20H2,1H3,(H,31,35)/b30-28+.
What are the key properties of N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide?
N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 466.59 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 91142119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).