N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide

C25H31N5O5 — CID 30468051

IUPACN-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)c1
InChIInChI=1S/C25H31N5O5/c1-17-5-6-19(18(2)14-17)27-22(31)15-20-24(33)26-7-8-30(20)23(32)16-28-9-11-29(12-10-28)25(34)21-4-3-13-35-21/h3-6,13-14,20H,7-12,15-16H2,1-2H3,(H,26,33)(H,27,31)/t20-/m0/s1
InChIKeyAOAFLLFMACKVRV-FQEVSTJZSA-N
MW481.55 g/mol
LogP1.01
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide

N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 30468051) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID30468051
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC NameN-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)c1
InChIInChI=1S/C25H31N5O5/c1-17-5-6-19(18(2)14-17)27-22(31)15-20-24(33)26-7-8-30(20)23(32)16-28-9-11-29(12-10-28)25(34)21-4-3-13-35-21/h3-6,13-14,20H,7-12,15-16H2,1-2H3,(H,26,33)(H,27,31)/t20-/m0/s1
InChIKeyAOAFLLFMACKVRV-FQEVSTJZSA-N
XLogP1.01
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832372
2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide
CID 43854555
ethyl 4-[[2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 43832315
N-(2,4-dimethylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 43832398
N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832397
2-[(2S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 30468129
N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832355
N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468063
2-[1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methylphenyl)acetamide
CID 16653945
2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 16653918
2-[(2S)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(3-methylphenyl)acetamide
CID 28628872
2-[(2R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(3-methylphenyl)acetamide
CID 28628875

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide (CID 30468051) is N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide is Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is AOAFLLFMACKVRV-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-17-5-6-19(18(2)14-17)27-22(31)15-20-24(33)26-7-8-30(20)23(32)16-28-9-11-29(12-10-28)25(34)21-4-3-13-35-21/h3-6,13-14,20H,7-12,15-16H2,1-2H3,(H,26,33)(H,27,31)/t20-/m0/s1.
What are the key properties of N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 481.55 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 30468051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).