N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide

C18H23N5O2 — CID 120878564

IUPACN-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C18H23N5O2/c1-13(24)21-11-14-3-5-15(6-4-14)18(25)23-10-7-19-12-16(23)17-20-8-9-22(17)2/h3-6,8-9,16,19H,7,10-12H2,1-2H3,(H,21,24)
InChIKeyZPWYEUGPPAMEPF-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.84
Rot. Bonds4

About N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide

N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide (PubChem CID 120878564) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
PubChem CID120878564
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C18H23N5O2/c1-13(24)21-11-14-3-5-15(6-4-14)18(25)23-10-7-19-12-16(23)17-20-8-9-22(17)2/h3-6,8-9,16,19H,7,10-12H2,1-2H3,(H,21,24)
InChIKeyZPWYEUGPPAMEPF-UHFFFAOYSA-N
XLogP0.84
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
CID 120880286
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877238
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 120880036
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide
CID 120879890
N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120877541
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120878645
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone
CID 120879292

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide (CID 120878564) is N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.
What is the InChIKey of N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide?
The InChIKey is ZPWYEUGPPAMEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(24)21-11-14-3-5-15(6-4-14)18(25)23-10-7-19-12-16(23)17-20-8-9-22(17)2/h3-6,8-9,16,19H,7,10-12H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide?
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide is sourced from PubChem (CID 120878564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).