1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide

C22H23BrN4O2 — CID 17368139

IUPAC1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(/N=C2\C(=O)N(CN3CCC(C(N)=O)CC3)c3ccccc32)cc1Br
InChIInChI=1S/C22H23BrN4O2/c1-14-6-7-16(12-18(14)23)25-20-17-4-2-3-5-19(17)27(22(20)29)13-26-10-8-15(9-11-26)21(24)28/h2-7,12,15H,8-11,13H2,1H3,(H2,24,28)/b25-20-
InChIKeyGYVYFTFVUZVVNS-QQTULTPQSA-N
MW455.36 g/mol
LogP3.38
Rot. Bonds4

About 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide

1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide (PubChem CID 17368139) has the molecular formula C22H23BrN4O2 and a molecular weight of 455.36 g/mol. Its IUPAC name is 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide
PubChem CID17368139
Molecular FormulaC22H23BrN4O2
Molecular Weight455.36 g/mol
Exact Mass454.10
IUPAC Name1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(/N=C2\C(=O)N(CN3CCC(C(N)=O)CC3)c3ccccc32)cc1Br
InChIInChI=1S/C22H23BrN4O2/c1-14-6-7-16(12-18(14)23)25-20-17-4-2-3-5-19(17)27(22(20)29)13-26-10-8-15(9-11-26)21(24)28/h2-7,12,15H,8-11,13H2,1H3,(H2,24,28)/b25-20-
InChIKeyGYVYFTFVUZVVNS-QQTULTPQSA-N
XLogP3.38
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 53.38
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

ethyl 1-[[3-(4-bromophenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxylate
CID 17380023
ethyl 1-[[2-oxo-3-(4-phenoxyphenyl)iminoindol-1-yl]methyl]piperidine-4-carboxylate
CID 4211062
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3-chloro-4-methylphenyl)iminoindol-2-one
CID 1077253
3-(3,4-dimethylphenyl)imino-1-[[(3S)-3-methylpiperidin-1-yl]methyl]indol-2-one
CID 100816750
3-(3-chloro-4-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 17385517
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one
CID 17370028
1-[(4-methylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 1041520
3-(3-bromophenyl)imino-1-[(3-methylpiperidin-1-yl)methyl]indol-2-one
CID 17370095
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
CID 746190
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
CID 1254994
3-(4-iodophenyl)imino-1-[[(3S)-3-methylpiperidin-1-yl]methyl]indol-2-one
CID 92517755

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide (CID 17368139) is 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide is Cc1ccc(/N=C2\C(=O)N(CN3CCC(C(N)=O)CC3)c3ccccc32)cc1Br.
What is the InChIKey of 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide?
The InChIKey is GYVYFTFVUZVVNS-QQTULTPQSA-N. The full InChI is InChI=1S/C22H23BrN4O2/c1-14-6-7-16(12-18(14)23)25-20-17-4-2-3-5-19(17)27(22(20)29)13-26-10-8-15(9-11-26)21(24)28/h2-7,12,15H,8-11,13H2,1H3,(H2,24,28)/b25-20-.
What are the key properties of 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide?
1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide has a molecular weight of 455.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 17368139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).