N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide

C21H29N5O2 — CID 120880286

IUPACN,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
SMILESCC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C21H29N5O2/c1-15(2)20(27)25(4)14-16-5-7-17(8-6-16)21(28)26-12-9-22-13-18(26)19-23-10-11-24(19)3/h5-8,10-11,15,18,22H,9,12-14H2,1-4H3
InChIKeyCMOIAMOMEQBGCA-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.82
Rot. Bonds5

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

N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide (PubChem CID 120880286) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
PubChem CID120880286
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
SMILESCC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C21H29N5O2/c1-15(2)20(27)25(4)14-16-5-7-17(8-6-16)21(28)26-12-9-22-13-18(26)19-23-10-11-24(19)3/h5-8,10-11,15,18,22H,9,12-14H2,1-4H3
InChIKeyCMOIAMOMEQBGCA-UHFFFAOYSA-N
XLogP1.82
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide
CID 120879890
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120879889
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120878645
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877238
[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
N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870455
N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120877541

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide (CID 120880286) is N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide is CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.
What is the InChIKey of N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide?
The InChIKey is CMOIAMOMEQBGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(2)20(27)25(4)14-16-5-7-17(8-6-16)21(28)26-12-9-22-13-18(26)19-23-10-11-24(19)3/h5-8,10-11,15,18,22H,9,12-14H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide?
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide has a molecular weight of 383.50 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide is sourced from PubChem (CID 120880286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).