2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

C26H30N4O4 — CID 163736072

IUPAC2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCN(Cc2ccccc2)CC1C
InChIInChI=1S/C26H30N4O4/c1-17-15-29(16-18-8-6-5-7-9-18)10-11-30(17)25(32)20-12-19-21(24(31)26(33)28(2)3)14-27-22(19)13-23(20)34-4/h5-9,12-14,17,27H,10-11,15-16H2,1-4H3
InChIKeyLDSCMCNUTHUSRK-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.79
Rot. Bonds6

About 2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 163736072) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID163736072
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCN(Cc2ccccc2)CC1C
InChIInChI=1S/C26H30N4O4/c1-17-15-29(16-18-8-6-5-7-9-18)10-11-30(17)25(32)20-12-19-21(24(31)26(33)28(2)3)14-27-22(19)13-23(20)34-4/h5-9,12-14,17,27H,10-11,15-16H2,1-4H3
InChIKeyLDSCMCNUTHUSRK-UHFFFAOYSA-N
XLogP2.79
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 59989960
2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 58863477
2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane
CID 142871804
2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide
CID 21100642
2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide
CID 142871798
2-[1-amino-6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]indol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine;methane
CID 158490816
2-[5-[(5S)-4-benzhydryl-2,5-dimethylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 142871738
1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione
CID 138530088
1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine
CID 142871654
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
2-[5-(4-benzhydryl-2-methylpiperazine-1-carbonyl)-6-chloro-1H-indol-3-yl]-N-methyl-2-oxo-N-prop-2-enylacetamide
CID 21100706

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 163736072) is 2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCN(Cc2ccccc2)CC1C.
What is the InChIKey of 2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is LDSCMCNUTHUSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17-15-29(16-18-8-6-5-7-9-18)10-11-30(17)25(32)20-12-19-21(24(31)26(33)28(2)3)14-27-22(19)13-23(20)34-4/h5-9,12-14,17,27H,10-11,15-16H2,1-4H3.
What are the key properties of 2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 462.55 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 163736072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).