N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide

C27H37N3O5 — CID 27850735

IUPACN-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc(OCC)c1OCC
InChIInChI=1S/C27H37N3O5/c1-6-33-22-16-21(17-23(34-7-2)26(22)35-8-3)27(32)30-14-12-29(13-15-30)18-24(31)28-25-19(4)10-9-11-20(25)5/h9-11,16-17H,6-8,12-15,18H2,1-5H3,(H,28,31)
InChIKeySMRLEOCZKFLFPA-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.90
Rot. Bonds10

About N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 27850735) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID27850735
Molecular FormulaC27H37N3O5
Molecular Weight483.61 g/mol
Exact Mass483.27
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc(OCC)c1OCC
InChIInChI=1S/C27H37N3O5/c1-6-33-22-16-21(17-23(34-7-2)26(22)35-8-3)27(32)30-14-12-29(13-15-30)18-24(31)28-25-19(4)10-9-11-20(25)5/h9-11,16-17H,6-8,12-15,18H2,1-5H3,(H,28,31)
InChIKeySMRLEOCZKFLFPA-UHFFFAOYSA-N
XLogP3.90
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(3-ethoxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 17499597
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 55475801
3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 46569274
4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17499455
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 9021581
N-(2,6-dimethylphenyl)-2-[4-(3-methoxy-4-prop-2-enoxybenzoyl)piperazin-1-yl]acetamide
CID 24547645
N-(2,6-dimethylphenyl)-2-[4-[4-(2-methylpropoxy)benzoyl]piperazin-1-yl]acetamide
CID 9021597
2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021429
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 134006916
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide (CID 27850735) is N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide is CCOc1cc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc(OCC)c1OCC.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is SMRLEOCZKFLFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O5/c1-6-33-22-16-21(17-23(34-7-2)26(22)35-8-3)27(32)30-14-12-29(13-15-30)18-24(31)28-25-19(4)10-9-11-20(25)5/h9-11,16-17H,6-8,12-15,18H2,1-5H3,(H,28,31).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 483.61 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27850735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).