N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide

C27H35N5O4 — CID 30468063

IUPACN-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C)cc3C)CC2)c1
InChIInChI=1S/C27H35N5O4/c1-19-7-8-23(20(2)15-19)29-25(33)17-24-27(35)28-9-10-32(24)26(34)18-30-11-13-31(14-12-30)21-5-4-6-22(16-21)36-3/h4-8,15-16,24H,9-14,17-18H2,1-3H3,(H,28,35)(H,29,33)/t24-/m1/s1
InChIKeyPJOVKQIQABEYGM-XMMPIXPASA-N
MW493.61 g/mol
LogP1.79
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide

N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 30468063) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID30468063
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC NameN-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C)cc3C)CC2)c1
InChIInChI=1S/C27H35N5O4/c1-19-7-8-23(20(2)15-19)29-25(33)17-24-27(35)28-9-10-32(24)26(34)18-30-11-13-31(14-12-30)21-5-4-6-22(16-21)36-3/h4-8,15-16,24H,9-14,17-18H2,1-3H3,(H,28,35)(H,29,33)/t24-/m1/s1
InChIKeyPJOVKQIQABEYGM-XMMPIXPASA-N
XLogP1.79
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832372
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-methoxyphenyl)acetamide
CID 30468309
N-(2-methylphenyl)-2-[(2S)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
CID 29104463
N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 30468187
N-(2-methoxyphenyl)-2-[(2R)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468207
N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468051
N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 43832281
2-[1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43832374

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide (CID 30468063) is N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide is COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C)cc3C)CC2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is PJOVKQIQABEYGM-XMMPIXPASA-N. The full InChI is InChI=1S/C27H35N5O4/c1-19-7-8-23(20(2)15-19)29-25(33)17-24-27(35)28-9-10-32(24)26(34)18-30-11-13-31(14-12-30)21-5-4-6-22(16-21)36-3/h4-8,15-16,24H,9-14,17-18H2,1-3H3,(H,28,35)(H,29,33)/t24-/m1/s1.
What are the key properties of N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 493.61 g/mol, XLogP of 1.79, 7 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-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 30468063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).