N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide

C20H29N5O — CID 90561341

IUPACN-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CCn3ccnc3C(C)C)CC2)cc1
InChIInChI=1S/C20H29N5O/c1-16(2)19-21-8-9-24(19)13-10-23-11-14-25(15-12-23)20(26)22-18-6-4-17(3)5-7-18/h4-9,16H,10-15H2,1-3H3,(H,22,26)
InChIKeyKEBODEHJIFLSLF-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.16
Rot. Bonds5

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

N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 90561341) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID90561341
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CCn3ccnc3C(C)C)CC2)cc1
InChIInChI=1S/C20H29N5O/c1-16(2)19-21-8-9-24(19)13-10-23-11-14-25(15-12-23)20(26)22-18-6-4-17(3)5-7-18/h4-9,16H,10-15H2,1-3H3,(H,22,26)
InChIKeyKEBODEHJIFLSLF-UHFFFAOYSA-N
XLogP3.16
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561347
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561338
N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561231
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 90561223
2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561106
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 90561851
N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561847
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
N-(4-fluorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494299
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 90561328
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-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide (CID 90561341) is N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(CCn3ccnc3C(C)C)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is KEBODEHJIFLSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16(2)19-21-8-9-24(19)13-10-23-11-14-25(15-12-23)20(26)22-18-6-4-17(3)5-7-18/h4-9,16H,10-15H2,1-3H3,(H,22,26).
What are the key properties of N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 90561341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).