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

C27H32N4O4 — CID 59989960

IUPAC2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-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)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C
InChIInChI=1S/C27H32N4O4/c1-17-15-31(18(2)14-30(17)16-19-9-7-6-8-10-19)26(33)21-11-20-22(25(32)27(34)29(3)4)13-28-23(20)12-24(21)35-5/h6-13,17-18,28H,14-16H2,1-5H3/t17-,18+/m1/s1
InChIKeyMTFBWKRNLCYIIV-MSOLQXFVSA-N
MW476.58 g/mol
LogP3.18
Rot. Bonds6

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

2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 59989960) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID59989960
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-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)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C
InChIInChI=1S/C27H32N4O4/c1-17-15-31(18(2)14-30(17)16-19-9-7-6-8-10-19)26(33)21-11-20-22(25(32)27(34)29(3)4)13-28-23(20)12-24(21)35-5/h6-13,17-18,28H,14-16H2,1-5H3/t17-,18+/m1/s1
InChIKeyMTFBWKRNLCYIIV-MSOLQXFVSA-N
XLogP3.18
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 163736072
2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide
CID 21100642
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
ethyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate
CID 59989962
ethyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate
CID 10153044
ethyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2S,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate
CID 58905306
2-[5-[(5S)-4-benzhydryl-2,5-dimethylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 142871738
2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 158610469
2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine
CID 159065642
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-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 59989959
1-[1-amino-5-[(2R,5S)-4-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-ethoxyindol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione;1-[5-[(2R,5S)-4-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-ethoxy-1H-indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione;O-diphenylphosphorylhydroxylamine
CID 160602254

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 59989960) is 2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-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)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C.
What is the InChIKey of 2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is MTFBWKRNLCYIIV-MSOLQXFVSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-17-15-31(18(2)14-30(17)16-19-9-7-6-8-10-19)26(33)21-11-20-22(25(32)27(34)29(3)4)13-28-23(20)12-24(21)35-5/h6-13,17-18,28H,14-16H2,1-5H3/t17-,18+/m1/s1.
What are the key properties of 2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 476.58 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 59989960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).