N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

C22H33N5O3 — CID 90561242

IUPACN-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCN(CCn3ccnc3C(C)C)CC2)c1
InChIInChI=1S/C22H33N5O3/c1-17(2)22-23-7-8-27(22)14-13-25-9-11-26(12-10-25)16-21(28)24-19-15-18(29-3)5-6-20(19)30-4/h5-8,15,17H,9-14,16H2,1-4H3,(H,24,28)
InChIKeyDPFQPBBIBBFVBQ-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.28
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 90561242) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID90561242
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCN(CCn3ccnc3C(C)C)CC2)c1
InChIInChI=1S/C22H33N5O3/c1-17(2)22-23-7-8-27(22)14-13-25-9-11-26(12-10-25)16-21(28)24-19-15-18(29-3)5-6-20(19)30-4/h5-8,15,17H,9-14,16H2,1-4H3,(H,24,28)
InChIKeyDPFQPBBIBBFVBQ-UHFFFAOYSA-N
XLogP2.28
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 43198896
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CID 90561101
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (CID 90561242) is N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2CCN(CCn3ccnc3C(C)C)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is DPFQPBBIBBFVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-17(2)22-23-7-8-27(22)14-13-25-9-11-26(12-10-25)16-21(28)24-19-15-18(29-3)5-6-20(19)30-4/h5-8,15,17H,9-14,16H2,1-4H3,(H,24,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 90561242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).