N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide

C21H31N5O3 — CID 90561347

IUPACN-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(CCn3ccnc3C(C)C)CC2)cc1OC
InChIInChI=1S/C21H31N5O3/c1-16(2)20-22-7-8-25(20)12-9-24-10-13-26(14-11-24)21(27)23-17-5-6-18(28-3)19(15-17)29-4/h5-8,15-16H,9-14H2,1-4H3,(H,23,27)
InChIKeyOSZUOHIYHANJJZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.87
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide

N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 90561347) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID90561347
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(CCn3ccnc3C(C)C)CC2)cc1OC
InChIInChI=1S/C21H31N5O3/c1-16(2)20-22-7-8-25(20)12-9-24-10-13-26(14-11-24)21(27)23-17-5-6-18(28-3)19(15-17)29-4/h5-8,15-16H,9-14H2,1-4H3,(H,23,27)
InChIKeyOSZUOHIYHANJJZ-UHFFFAOYSA-N
XLogP2.87
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561341
2-(3,4-dimethoxyphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561101
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561338
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561393
N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561242
(4,5-dimethoxy-2-nitrophenyl)-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561134
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 77230279
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90561852
N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561231
1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90561095

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide (CID 90561347) is N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(CCn3ccnc3C(C)C)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is OSZUOHIYHANJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-16(2)20-22-7-8-25(20)12-9-24-10-13-26(14-11-24)21(27)23-17-5-6-18(28-3)19(15-17)29-4/h5-8,15-16H,9-14H2,1-4H3,(H,23,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 90561347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).