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

C19H25N5O2 — CID 120879890

IUPAC2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C19H25N5O2/c1-13(2)18(25)22-15-6-4-14(5-7-15)19(26)24-11-8-20-12-16(24)17-21-9-10-23(17)3/h4-7,9-10,13,16,20H,8,11-12H2,1-3H3,(H,22,25)
InChIKeyGIPBGNVKHZGPCM-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.80
Rot. Bonds4

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

2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide (PubChem CID 120879890) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide
PubChem CID120879890
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C19H25N5O2/c1-13(2)18(25)22-15-6-4-14(5-7-15)19(26)24-11-8-20-12-16(24)17-21-9-10-23(17)3/h4-7,9-10,13,16,20H,8,11-12H2,1-3H3,(H,22,25)
InChIKeyGIPBGNVKHZGPCM-UHFFFAOYSA-N
XLogP1.80
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-methylphenyl)methanone
CID 120878912
N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 120877842
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
CID 120880286
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide (CID 120879890) is 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.
What is the InChIKey of 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide?
The InChIKey is GIPBGNVKHZGPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(2)18(25)22-15-6-4-14(5-7-15)19(26)24-11-8-20-12-16(24)17-21-9-10-23(17)3/h4-7,9-10,13,16,20H,8,11-12H2,1-3H3,(H,22,25).
What are the key properties of 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide?
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 120879890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).