N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide

C28H30N4O3 — CID 134006916

IUPACN-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C28H30N4O3/c1-20-7-6-8-21(2)26(20)30-25(33)19-31-15-17-32(18-16-31)28(35)23-11-13-24(14-12-23)29-27(34)22-9-4-3-5-10-22/h3-14H,15-19H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyQDQAYQSUMXWTHH-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide

N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 134006916) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
PubChem CID134006916
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C28H30N4O3/c1-20-7-6-8-21(2)26(20)30-25(33)19-31-15-17-32(18-16-31)28(35)23-11-13-24(14-12-23)29-27(34)22-9-4-3-5-10-22/h3-14H,15-19H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyQDQAYQSUMXWTHH-UHFFFAOYSA-N
XLogP3.95
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 9021581
3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 46569274
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
N-(2,6-dimethylphenyl)-2-[4-[4-(2-methylpropoxy)benzoyl]piperazin-1-yl]acetamide
CID 9021597
N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
CID 27850735
2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 27850854
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021429
2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
CID 9223598
2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 120594763

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide (CID 134006916) is N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide is Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is QDQAYQSUMXWTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-20-7-6-8-21(2)26(20)30-25(33)19-31-15-17-32(18-16-31)28(35)23-11-13-24(14-12-23)29-27(34)22-9-4-3-5-10-22/h3-14H,15-19H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide?
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 134006916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).