2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide

C19H25N5O2 — CID 134014592

IUPAC2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C19H25N5O2/c1-2-8-21-18(25)14-22-9-11-23(12-10-22)19(26)17-13-20-15-24(17)16-6-4-3-5-7-16/h3-7,13,15H,2,8-12,14H2,1H3,(H,21,25)
InChIKeyTUILBWLDWHGAEH-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.16
Rot. Bonds6

About 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide

2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 134014592) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
PubChem CID134014592
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C19H25N5O2/c1-2-8-21-18(25)14-22-9-11-23(12-10-22)19(26)17-13-20-15-24(17)16-6-4-3-5-7-16/h3-7,13,15H,2,8-12,14H2,1H3,(H,21,25)
InChIKeyTUILBWLDWHGAEH-UHFFFAOYSA-N
XLogP1.16
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide
CID 43020077
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55606693
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124695532

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide (CID 134014592) is 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is TUILBWLDWHGAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-8-21-18(25)14-22-9-11-23(12-10-22)19(26)17-13-20-15-24(17)16-6-4-3-5-7-16/h3-7,13,15H,2,8-12,14H2,1H3,(H,21,25).
What are the key properties of 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 355.44 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 134014592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).